 Entering Gaussian System, Link 0=g16
 Input=36d_RhEn3-ob3_STD_M11-augccpVDZr.in
 Output=36d_RhEn3-ob3_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36d_RhEn3-ob3_STD/Gau-42137.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/36d_RhEn3-ob3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42138.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36d_RhEn3-ob3_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:40:54 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36d_RhEn3-ob3_STD_M11-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.888503000000     -2.283626000000      0.346441000000
  C                                                -2.701393000000     -1.217376000000     -0.346813000000
  N                                                -1.764324000000     -0.337100000000     -1.129343000000
  Rh                                                0.000137000000     -0.000290000000      0.000013000000
  N                                                -0.791312000000     -1.612960000000      1.128524000000
  N                                                 1.791723000000      0.121006000000      1.129851000000
  C                                                 2.921909000000     -0.491806000000      0.347289000000
  C                                                 2.406559000000     -1.729107000000     -0.346832000000
  N                                                 1.175543000000     -1.358466000000     -1.129476000000
  N                                                 0.590741000000      1.696308000000     -1.128278000000
  C                                                 0.295422000000      2.947860000000     -0.346258000000
  C                                                -1.034809000000      2.775943000000      0.346020000000
  N                                                -1.002175000000      1.490800000000      1.128835000000
  H                                                 2.129415000000     -2.500430000000      0.372568000000
  H                                                 3.162755000000     -2.156588000000     -1.006173000000
  H                                                 3.274326000000      0.248135000000     -0.372189000000
  H                                                 3.757967000000     -0.727492000000      1.006648000000
  H                                                 1.100920000000      3.093573000000      0.374343000000
  H                                                 0.288614000000      3.816420000000     -1.005696000000
  H                                                -1.850762000000      2.711245000000     -0.374670000000
  H                                                -1.249471000000      3.617991000000      1.004939000000
  H                                                -3.229730000000     -0.591602000000      0.373293000000
  H                                                -3.450537000000     -1.657262000000     -1.006036000000
  H                                                -1.425273000000     -2.959234000000     -0.373430000000
  H                                                -2.511055000000     -2.889142000000      1.006049000000
  H                                                -0.108747000000     -2.318114000000      1.404588000000
  H                                                -1.178462000000     -1.274245000000      2.009660000000
  H                                                -2.263642000000      0.507788000000     -1.405377000000
  H                                                -1.540523000000     -0.800167000000     -2.010547000000
  H                                                -1.954196000000      1.251545000000      1.404096000000
  H                                                -0.516258000000      1.657364000000      2.010418000000
  H                                                 1.572245000000      1.706926000000     -1.403733000000
  H                                                 0.078341000000      1.733532000000     -2.009807000000
  H                                                 2.059772000000      1.064893000000      1.406565000000
  H                                                 1.692659000000     -0.384485000000      2.010616000000
  H                                                 0.694313000000     -2.213552000000     -1.406187000000
  H                                                 1.464666000000     -0.932467000000     -2.010390000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:40:55 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888503   -2.283626    0.346441
      2          6           0       -2.701393   -1.217376   -0.346813
      3          7           0       -1.764324   -0.337100   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791312   -1.612960    1.128524
      6          7           0        1.791723    0.121006    1.129851
      7          6           0        2.921909   -0.491806    0.347289
      8          6           0        2.406559   -1.729107   -0.346832
      9          7           0        1.175543   -1.358466   -1.129476
     10          7           0        0.590741    1.696308   -1.128278
     11          6           0        0.295422    2.947860   -0.346258
     12          6           0       -1.034809    2.775943    0.346020
     13          7           0       -1.002175    1.490800    1.128835
     14          1           0        2.129415   -2.500430    0.372568
     15          1           0        3.162755   -2.156588   -1.006173
     16          1           0        3.274326    0.248135   -0.372189
     17          1           0        3.757967   -0.727492    1.006648
     18          1           0        1.100920    3.093573    0.374343
     19          1           0        0.288614    3.816420   -1.005696
     20          1           0       -1.850762    2.711245   -0.374670
     21          1           0       -1.249471    3.617991    1.004939
     22          1           0       -3.229730   -0.591602    0.373293
     23          1           0       -3.450537   -1.657262   -1.006036
     24          1           0       -1.425273   -2.959234   -0.373430
     25          1           0       -2.511055   -2.889142    1.006049
     26          1           0       -0.108747   -2.318114    1.404588
     27          1           0       -1.178462   -1.274245    2.009660
     28          1           0       -2.263642    0.507788   -1.405377
     29          1           0       -1.540523   -0.800167   -2.010547
     30          1           0       -1.954196    1.251545    1.404096
     31          1           0       -0.516258    1.657364    2.010418
     32          1           0        1.572245    1.706926   -1.403733
     33          1           0        0.078341    1.733532   -2.009807
     34          1           0        2.059772    1.064893    1.406565
     35          1           0        1.692659   -0.384485    2.010616
     36          1           0        0.694313   -2.213552   -1.406187
     37          1           0        1.464666   -0.932467   -2.010390
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509397   0.000000
     3  N    2.445879   1.505104   0.000000
     4  Rh   2.983387   2.983262   2.121841   0.000000
     5  N    1.505083   2.445714   2.769934   2.121470   0.000000
     6  N    4.465428   4.915272   4.237840   2.121562   3.111062
     7  C    5.133292   5.712246   4.915807   2.983109   3.956681
     8  C    4.385850   5.133521   4.466125   2.983283   3.523712
     9  N    3.524575   3.957664   3.112235   2.121784   3.005304
    10  N    4.915417   4.465242   3.111443   2.121391   4.237273
    11  C    5.711200   5.131286   3.955596   2.983066   4.914982
    12  C    5.131085   4.382250   3.521353   2.983002   4.464759
    13  N    3.955251   3.521235   3.003574   2.121843   3.110915
    14  H    4.023848   5.049796   4.700738   3.305045   3.144792
    15  H    5.230766   5.975375   5.253743   3.957800   4.526269
    16  H    5.794916   6.152852   5.128721   3.304628   4.716485
    17  H    5.894069   6.617792   5.933849   3.957704   4.636254
    18  H    6.152373   5.793266   4.715953   3.305122   5.128429
    19  H    6.616545   5.891805   4.634822   3.957518   5.932900
    20  H    5.046797   4.019753   3.141562   3.304336   4.699019
    21  H    5.972526   5.226479   4.523602   3.957696   5.252431
    22  H    2.159295   1.090544   2.114261   3.304698   2.749441
    23  H    2.159045   1.090546   2.145075   3.957884   3.410247
    24  H    1.090524   2.159458   2.749899   3.305541   2.114291
    25  H    1.090552   2.158996   3.410341   3.957734   2.145031
    26  H    2.070844   3.316752   3.617480   2.712378   1.019484
    27  H    2.071064   2.806335   3.327884   2.655323   1.020301
    28  H    3.316864   2.070839   1.019485   2.712556   3.617455
    29  H    2.806623   2.071157   1.020313   2.656273   3.328020
    30  H    3.690580   3.117620   2.996357   2.712556   3.103809
    31  H    4.492580   4.312248   3.923475   2.656353   3.398295
    32  H    5.564566   5.285130   3.922502   2.712308   4.797955
    33  H    5.055486   4.381818   2.908290   2.655491   4.669521
    34  H    5.284441   5.563432   4.797929   2.712029   3.921337
    35  H    4.381887   5.055578   4.670366   2.656080   2.908152
    36  H    3.122107   3.693976   3.105255   2.712528   2.998758
    37  H    4.315556   4.494965   3.399571   2.656223   3.924957
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.505079   0.000000
     8  C    2.445718   1.509405   0.000000
     9  N    2.770031   2.445757   1.505094   0.000000
    10  N    3.003844   3.521290   3.954911   3.110247   0.000000
    11  C    3.522629   4.383006   5.131366   4.464581   1.505042
    12  C    3.956307   5.131647   5.711264   4.914884   2.445727
    13  N    3.111624   4.465420   4.915777   4.238011   2.770230
    14  H    2.749444   2.159457   1.090543   2.114259   4.715153
    15  H    3.410244   2.159020   1.090552   2.145044   4.634110
    16  H    2.114331   1.090577   2.159432   2.749462   3.141736
    17  H    2.145051   1.090548   2.159038   3.410288   4.523719
    18  H    3.143908   4.021402   5.048072   4.699754   2.114356
    19  H    4.525039   5.227392   5.972660   5.251801   2.145037
    20  H    4.715996   5.793026   6.151608   5.127456   2.749356
    21  H    4.636094   5.892652   6.617046   5.933089   3.410258
    22  H    5.127883   6.152503   5.794847   4.717290   4.699494
    23  H    5.933426   6.617994   5.894513   4.637363   5.252933
    24  H    4.700723   5.050310   4.024532   3.146158   5.129150
    25  H    5.252639   5.974804   5.230573   4.527079   5.933198
    26  H    3.104283   3.692988   3.121084   2.998634   4.797945
    27  H    3.397468   4.493187   4.314201   3.924616   4.669145
    28  H    4.798225   5.564258   5.285357   3.922629   3.104330
    29  H    4.670602   5.056459   4.382959   2.909467   3.398981
    30  H    3.922402   5.285122   5.564730   4.798584   3.617656
    31  H    2.909050   4.382456   5.056449   4.670798   3.328419
    32  H    2.997059   3.118027   3.690453   3.103098   1.019479
    33  H    3.923439   4.312066   4.491765   3.396953   1.020310
    34  H    1.019482   2.070907   3.316790   3.617462   2.997026
    35  H    1.020334   2.071046   2.806283   3.328096   3.923847
    36  H    3.617452   3.316816   2.070919   1.019472   3.921092
    37  H    3.328346   2.806491   2.071044   1.020332   2.907288
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509410   0.000000
    13  N    2.445952   1.505143   0.000000
    14  H    5.793454   6.152490   5.129202   0.000000
    15  H    5.891729   6.616482   5.933662   1.756971   0.000000
    16  H    4.020330   5.047205   4.699548   3.069217   2.489393
    17  H    5.227598   5.973373   5.253066   2.489488   2.539299
    18  H    1.090562   2.159405   2.749754   5.687765   5.806994
    19  H    1.090551   2.158976   3.410406   6.722407   6.628538
    20  H    2.159375   1.090577   2.114264   6.600131   7.016406
    21  H    2.159051   1.090550   2.145098   7.017965   7.540429
    22  H    5.047003   4.019799   3.141535   5.688942   6.724282
    23  H    5.972827   5.226577   4.523543   5.809247   6.632116
    24  H    6.152665   5.793300   4.715784   3.660986   4.700490
    25  H    6.616316   5.891361   4.634187   4.699612   6.064470
    26  H    5.564108   5.284655   3.921999   2.471371   4.067012
    27  H    5.054587   4.380908   2.907302   3.889171   5.359099
    28  H    3.691137   3.118004   2.996638   5.613325   6.058387
    29  H    4.493135   4.312507   3.923527   4.694526   4.996946
    30  H    3.316927   2.070890   1.019488   5.640678   6.603632
    31  H    2.806800   2.071312   1.020317   5.193206   6.097638
    32  H    2.070857   3.316800   3.617769   4.600818   4.196965
    33  H    2.071017   2.806358   3.328289   5.273429   5.064970
    34  H    3.119437   3.691731   3.103877   3.712887   4.173226
    35  H    4.314122   4.494248   3.399465   2.711306   3.795069
    36  H    5.284197   5.563735   4.798607   2.303429   2.501292
    37  H    4.381028   5.054933   4.670360   2.928974   2.321730
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756971   0.000000
    18  H    3.657529   4.696834   0.000000
    19  H    4.695579   6.060782   1.756945   0.000000
    20  H    5.686250   6.722410   3.069140   2.489284   0.000000
    21  H    5.806647   6.630057   2.489378   2.539239   1.757003
    22  H    6.600276   7.017657   5.686391   5.806119   3.656474
    23  H    7.018268   7.541744   6.722473   6.628910   4.694865
    24  H    5.689767   5.809584   6.601310   7.017596   5.686420
    25  H    6.724037   6.631242   7.017000   7.539882   5.805748
    26  H    4.603016   4.199989   5.640129   6.603020   5.612025
    27  H    5.274293   5.066883   5.191115   6.095864   4.692670
    28  H    5.639502   6.603299   4.601518   4.197714   2.467397
    29  H    5.192873   6.097765   5.275048   5.066394   3.886175
    30  H    5.612438   6.058330   3.713111   4.173234   2.303352
    31  H    4.693748   4.996408   2.711955   3.795561   2.929200
    32  H    2.467637   4.063706   2.303582   2.501221   3.712762
    33  H    3.886196   5.356798   2.929087   2.321826   2.711279
    34  H    2.303519   2.501288   2.469903   4.065330   4.601690
    35  H    2.929102   2.321875   3.889014   5.358832   5.275317
    36  H    3.712886   4.173263   5.612592   6.056860   5.638711
    37  H    2.711530   3.795229   4.693427   4.994441   5.190788
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.694792   0.000000
    23  H    6.059456   1.756968   0.000000
    24  H    6.722403   3.069095   2.489381   0.000000
    25  H    6.628301   2.489089   2.539417   1.756928   0.000000
    26  H    6.057913   3.712809   4.173176   2.303394   2.501198
    27  H    4.994845   2.711346   3.795188   2.929031   2.321838
    28  H    4.063438   2.303400   2.501127   3.713222   4.173167
    29  H    5.357050   2.929098   2.322027   2.712011   3.795471
    30  H    2.501206   2.467130   4.063118   4.601089   4.196882
    31  H    2.322207   3.885995   5.356840   5.274658   5.065441
    32  H    4.173242   5.612488   6.058404   5.640894   6.603350
    33  H    3.795124   4.693479   4.995800   5.192363   6.096677
    34  H    4.198893   5.638303   6.602596   5.613156   6.057001
    35  H    5.068267   5.191689   6.096935   4.694093   4.995365
    36  H    6.602933   4.603845   4.201114   2.472908   4.068131
    37  H    6.096345   5.275935   5.068853   3.890909   5.360395
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.612472   0.000000
    28  H    4.530474   4.001966   0.000000
    29  H    4.002161   4.064222   1.612414   0.000000
    30  H    4.018476   2.710735   2.922682   4.005051   0.000000
    31  H    4.041970   3.005469   4.005313   4.822524   1.612446
    32  H    5.187808   5.301417   4.018951   4.042655   4.530680
    33  H    5.301786   5.175171   2.711580   3.006718   4.002281
    34  H    4.018360   4.039981   5.187417   5.302568   4.018306
    35  H    2.711320   3.005829   5.302592   5.176486   4.042773
    36  H    2.925114   4.007193   4.019352   2.712453   5.188370
    37  H    4.007209   4.823250   4.042358   3.008100   5.302569
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.002590   0.000000
    33  H    4.064672   1.612384   0.000000
    34  H    2.711382   2.923639   4.005589   0.000000
    35  H    3.008066   4.005781   4.822429   1.612559   0.000000
    36  H    5.303080   4.017576   4.040204   4.530370   4.002090
    37  H    5.176696   2.710351   3.004904   4.002397   4.064573
                   36         37
    36  H    0.000000
    37  H    1.612353   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.30D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.888523   -2.283610    0.346441
      2          6           0       -2.701404   -1.217353   -0.346813
      3          7           0       -1.764327   -0.337085   -1.129343
      4         45           0        0.000137   -0.000290    0.000013
      5          7           0       -0.791326   -1.612953    1.128524
      6          7           0        1.791724    0.120990    1.129851
      7          6           0        2.921905   -0.491832    0.347289
      8          6           0        2.406544   -1.729128   -0.346832
      9          7           0        1.175531   -1.358476   -1.129476
     10          7           0        0.590756    1.696303   -1.128278
     11          6           0        0.295448    2.947857   -0.346258
     12          6           0       -1.034785    2.775952    0.346020
     13          7           0       -1.002162    1.490809    1.128835
     14          1           0        2.129393   -2.500449    0.372568
     15          1           0        3.162736   -2.156616   -1.006173
     16          1           0        3.274328    0.248106   -0.372189
     17          1           0        3.757961   -0.727525    1.006648
     18          1           0        1.100947    3.093563    0.374343
     19          1           0        0.288647    3.816417   -1.005696
     20          1           0       -1.850738    2.711261   -0.374670
     21          1           0       -1.249439    3.618002    1.004939
     22          1           0       -3.229735   -0.591574    0.373293
     23          1           0       -3.450551   -1.657232   -1.006036
     24          1           0       -1.425299   -2.959222   -0.373430
     25          1           0       -2.511080   -2.889120    1.006049
     26          1           0       -0.108767   -2.318113    1.404588
     27          1           0       -1.178473   -1.274235    2.009660
     28          1           0       -2.263637    0.507808   -1.405377
     29          1           0       -1.540530   -0.800154   -2.010547
     30          1           0       -1.954185    1.251562    1.404096
     31          1           0       -0.516243    1.657368    2.010418
     32          1           0        1.572260    1.706912   -1.403733
     33          1           0        0.078356    1.733531   -2.009807
     34          1           0        2.059781    1.064875    1.406565
     35          1           0        1.692656   -0.384500    2.010616
     36          1           0        0.694294   -2.213558   -1.406187
     37          1           0        1.464658   -0.932480   -2.010390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7090961           0.7085638           0.4562113
 Leave Link  202 at Thu Jul  8 21:40:55 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.5355266150 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 21:40:58 2021, MaxMem= 10737418240 cpu:              41.7 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29876 LenP2D=  115070.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.15D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 21:41:00 2021, MaxMem= 10737418240 cpu:              30.4 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:41:01 2021, MaxMem= 10737418240 cpu:               3.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36d_RhEn3-ob3_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:41:03 2021, MaxMem= 10737418240 cpu:              22.7 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.531321033838    
 DIIS: error= 6.30D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.531321033838     IErMin= 1 ErrMin= 6.30D-02
 ErrMax= 6.30D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-01 BMatP= 1.16D-01
 IDIUse=3 WtCom= 3.70D-01 WtEn= 6.30D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.445 Goal=   None    Shift=    0.000
 GapD=    0.445 DampG=2.000 DampE=0.250 DampFc=0.5000 IDamp=-1.
 Damping current iteration by 5.00D-01
 RMSDP=1.59D-02 MaxDP=5.28D+00              OVMax= 3.41D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.58D-03    CP:  1.18D+00
 E= -680.545817133574     Delta-E=       -0.014496099736 Rises=F Damp=T
 DIIS: error= 3.22D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.545817133574     IErMin= 2 ErrMin= 3.22D-02
 ErrMax= 3.22D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-02 BMatP= 1.16D-01
 IDIUse=3 WtCom= 6.78D-01 WtEn= 3.22D-01
 Coeff-Com: -0.920D+00 0.192D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.624D+00 0.162D+01
 Gap=     0.454 Goal=   None    Shift=    0.000
 RMSDP=1.22D-02 MaxDP=4.37D+00 DE=-1.45D-02 OVMax= 1.75D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.14D-03    CP:  1.48D+00  2.43D+00
 E= -680.560150625156     Delta-E=       -0.014333491582 Rises=F Damp=F
 DIIS: error= 2.80D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.560150625156     IErMin= 3 ErrMin= 2.80D-03
 ErrMax= 2.80D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-03 BMatP= 3.05D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.80D-02
 Coeff-Com: -0.497D+00 0.964D+00 0.533D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.483D+00 0.937D+00 0.546D+00
 Gap=     0.453 Goal=   None    Shift=    0.000
 RMSDP=1.09D-03 MaxDP=3.95D-01 DE=-1.43D-02 OVMax= 1.47D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.54D-04    CP:  1.45D+00  2.38D+00  6.65D-01
 E= -680.563041255048     Delta-E=       -0.002890629891 Rises=F Damp=F
 DIIS: error= 7.40D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.563041255048     IErMin= 4 ErrMin= 7.40D-04
 ErrMax= 7.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-04 BMatP= 4.29D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.40D-03
 Coeff-Com:  0.634D-02-0.176D-01 0.157D+00 0.854D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.629D-02-0.174D-01 0.156D+00 0.855D+00
 Gap=     0.451 Goal=   None    Shift=    0.000
 RMSDP=5.81D-04 MaxDP=2.11D-01 DE=-2.89D-03 OVMax= 2.55D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.14D-05    CP:  1.47D+00  2.43D+00  8.14D-01  9.46D-01
 E= -680.563191972487     Delta-E=       -0.000150717439 Rises=F Damp=F
 DIIS: error= 1.10D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.563191972487     IErMin= 5 ErrMin= 1.10D-04
 ErrMax= 1.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.75D-06 BMatP= 1.89D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.10D-03
 Coeff-Com:  0.693D-01-0.136D+00-0.337D-01 0.143D+00 0.957D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.692D-01-0.135D+00-0.337D-01 0.143D+00 0.957D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=1.76D-04 MaxDP=6.38D-02 DE=-1.51D-04 OVMax= 1.05D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.10D-05    CP:  1.47D+00  2.44D+00  8.60D-01  9.44D-01  1.11D+00
 E= -680.563202914993     Delta-E=       -0.000010942505 Rises=F Damp=F
 DIIS: error= 2.47D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.563202914993     IErMin= 6 ErrMin= 2.47D-05
 ErrMax= 2.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-07 BMatP= 5.75D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-01-0.319D-01-0.177D-01-0.278D-01 0.288D+00 0.773D+00
 Coeff:      0.165D-01-0.319D-01-0.177D-01-0.278D-01 0.288D+00 0.773D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=9.11D-06 MaxDP=9.94D-04 DE=-1.09D-05 OVMax= 2.67D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.05D-06    CP:  1.47D+00  2.44D+00  8.59D-01  9.44D-01  1.17D+00
                    CP:  9.27D-01
 E= -680.563203785461     Delta-E=       -0.000000870469 Rises=F Damp=F
 DIIS: error= 1.47D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.563203785461     IErMin= 7 ErrMin= 1.47D-05
 ErrMax= 1.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.13D-08 BMatP= 7.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.636D-02 0.125D-01 0.168D-02-0.333D-01-0.660D-01 0.205D+00
 Coeff-Com:  0.887D+00
 Coeff:     -0.636D-02 0.125D-01 0.168D-02-0.333D-01-0.660D-01 0.205D+00
 Coeff:      0.887D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=7.55D-06 MaxDP=1.62D-03 DE=-8.70D-07 OVMax= 1.01D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.16D-06    CP:  1.47D+00  2.44D+00  8.59D-01  9.39D-01  1.19D+00
                    CP:  9.46D-01  1.21D+00
 E= -680.563203904868     Delta-E=       -0.000000119407 Rises=F Damp=F
 DIIS: error= 2.29D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.563203904868     IErMin= 8 ErrMin= 2.29D-06
 ErrMax= 2.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.60D-09 BMatP= 9.13D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.311D-02 0.611D-02 0.168D-02-0.109D-01-0.397D-01 0.244D-01
 Coeff-Com:  0.281D+00 0.741D+00
 Coeff:     -0.311D-02 0.611D-02 0.168D-02-0.109D-01-0.397D-01 0.244D-01
 Coeff:      0.281D+00 0.741D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=1.44D-06 MaxDP=3.66D-04 DE=-1.19D-07 OVMax= 1.73D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.79D-07    CP:  1.47D+00  2.44D+00  8.60D-01  9.37D-01  1.19D+00
                    CP:  9.59D-01  1.28D+00  9.72D-01
 E= -680.563203912422     Delta-E=       -0.000000007554 Rises=F Damp=F
 DIIS: error= 7.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.563203912422     IErMin= 9 ErrMin= 7.69D-07
 ErrMax= 7.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-10 BMatP= 6.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-03-0.621D-03 0.120D-03 0.247D-02 0.245D-02-0.203D-01
 Coeff-Com: -0.672D-01 0.101D+00 0.982D+00
 Coeff:      0.313D-03-0.621D-03 0.120D-03 0.247D-02 0.245D-02-0.203D-01
 Coeff:     -0.672D-01 0.101D+00 0.982D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=5.19D-07 MaxDP=1.38D-04 DE=-7.55D-09 OVMax= 8.89D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.68D-07    CP:  1.47D+00  2.44D+00  8.60D-01  9.38D-01  1.19D+00
                    CP:  9.53D-01  1.30D+00  1.05D+00  1.07D+00
 E= -680.563203913061     Delta-E=       -0.000000000639 Rises=F Damp=F
 DIIS: error= 2.72D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.563203913061     IErMin=10 ErrMin= 2.72D-07
 ErrMax= 2.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-11 BMatP= 3.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-03-0.240D-03-0.120D-03 0.328D-03 0.185D-02 0.890D-03
 Coeff-Com: -0.561D-02-0.533D-01-0.118D+00 0.117D+01
 Coeff:      0.123D-03-0.240D-03-0.120D-03 0.328D-03 0.185D-02 0.890D-03
 Coeff:     -0.561D-02-0.533D-01-0.118D+00 0.117D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=9.67D-08 MaxDP=2.02D-05 DE=-6.39D-10 OVMax= 4.91D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.68D-08    CP:  1.47D+00  2.44D+00  8.60D-01  9.38D-01  1.20D+00
                    CP:  9.53D-01  1.31D+00  1.06D+00  1.10D+00  1.22D+00
 E= -680.563203913101     Delta-E=       -0.000000000040 Rises=F Damp=F
 DIIS: error= 1.46D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.563203913101     IErMin=11 ErrMin= 1.46D-07
 ErrMax= 1.46D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-12 BMatP= 2.43D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.921D-04 0.181D-03 0.268D-04-0.467D-03-0.105D-02 0.246D-02
 Coeff-Com:  0.109D-01 0.783D-02-0.861D-01-0.466D+00 0.153D+01
 Coeff:     -0.921D-04 0.181D-03 0.268D-04-0.467D-03-0.105D-02 0.246D-02
 Coeff:      0.109D-01 0.783D-02-0.861D-01-0.466D+00 0.153D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=5.39D-08 MaxDP=1.39D-05 DE=-3.96D-11 OVMax= 3.60D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.44D-08    CP:  1.47D+00  2.44D+00  8.60D-01  9.38D-01  1.20D+00
                    CP:  9.53D-01  1.31D+00  1.06D+00  1.10D+00  1.31D+00
                    CP:  1.54D+00
 E= -680.563203913347     Delta-E=       -0.000000000246 Rises=F Damp=F
 DIIS: error= 4.62D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.563203913347     IErMin=12 ErrMin= 4.62D-08
 ErrMax= 4.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-13 BMatP= 4.83D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-04 0.256D-04 0.203D-04-0.348D-04-0.223D-03-0.311D-03
 Coeff-Com: -0.854D-05 0.916D-02 0.253D-01-0.182D+00-0.535D-01 0.120D+01
 Coeff:     -0.130D-04 0.256D-04 0.203D-04-0.348D-04-0.223D-03-0.311D-03
 Coeff:     -0.854D-05 0.916D-02 0.253D-01-0.182D+00-0.535D-01 0.120D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=8.76D-06 DE=-2.46D-10 OVMax= 1.32D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.58D-09    CP:  1.47D+00  2.44D+00  8.60D-01  9.38D-01  1.20D+00
                    CP:  9.53D-01  1.31D+00  1.06D+00  1.10D+00  1.31D+00
                    CP:  1.64D+00  1.33D+00
 E= -680.563203913191     Delta-E=        0.000000000156 Rises=F Damp=F
 DIIS: error= 1.03D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -680.563203913347     IErMin=13 ErrMin= 1.03D-08
 ErrMax= 1.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-13 BMatP= 6.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.400D-05-0.791D-05 0.645D-05 0.344D-04 0.130D-04-0.420D-03
 Coeff-Com: -0.122D-02 0.366D-02 0.218D-01-0.378D-01-0.191D+00 0.577D+00
 Coeff-Com:  0.628D+00
 Coeff:      0.400D-05-0.791D-05 0.645D-05 0.344D-04 0.130D-04-0.420D-03
 Coeff:     -0.122D-02 0.366D-02 0.218D-01-0.378D-01-0.191D+00 0.577D+00
 Coeff:      0.628D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=6.93D-09 MaxDP=2.48D-06 DE= 1.56D-10 OVMax= 2.29D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.37D-09    CP:  1.47D+00  2.44D+00  8.60D-01  9.38D-01  1.20D+00
                    CP:  9.53D-01  1.31D+00  1.06D+00  1.10D+00  1.31D+00
                    CP:  1.64D+00  1.42D+00  9.63D-01
 E= -680.563203913255     Delta-E=       -0.000000000063 Rises=F Damp=F
 DIIS: error= 4.09D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -680.563203913347     IErMin=14 ErrMin= 4.09D-09
 ErrMax= 4.09D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-14 BMatP= 1.89D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.353D-05-0.694D-05-0.313D-05 0.150D-04 0.507D-04-0.299D-04
 Coeff-Com: -0.269D-03-0.967D-03-0.114D-03 0.279D-01-0.306D-01-0.114D+00
 Coeff-Com:  0.115D+00 0.100D+01
 Coeff:      0.353D-05-0.694D-05-0.313D-05 0.150D-04 0.507D-04-0.299D-04
 Coeff:     -0.269D-03-0.967D-03-0.114D-03 0.279D-01-0.306D-01-0.114D+00
 Coeff:      0.115D+00 0.100D+01
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=3.70D-09 MaxDP=1.36D-06 DE=-6.34D-11 OVMax= 8.66D-08

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  8.93D-10    CP:  1.47D+00  2.44D+00  8.60D-01  9.38D-01  1.20D+00
                    CP:  9.53D-01  1.31D+00  1.06D+00  1.10D+00  1.31D+00
                    CP:  1.63D+00  1.44D+00  1.09D+00  1.10D+00
 E= -680.563203913275     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 6.86D-10 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -680.563203913347     IErMin=15 ErrMin= 6.86D-10
 ErrMax= 6.86D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-16 BMatP= 1.15D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-07-0.502D-07-0.312D-06-0.653D-06 0.192D-05 0.134D-04
 Coeff-Com:  0.277D-04-0.166D-03-0.858D-03 0.256D-02 0.652D-02-0.256D-01
 Coeff-Com: -0.192D-01 0.418D-01 0.995D+00
 Coeff:      0.264D-07-0.502D-07-0.312D-06-0.653D-06 0.192D-05 0.134D-04
 Coeff:      0.277D-04-0.166D-03-0.858D-03 0.256D-02 0.652D-02-0.256D-01
 Coeff:     -0.192D-01 0.418D-01 0.995D+00
 Gap=     0.450 Goal=   None    Shift=    0.000
 RMSDP=1.14D-09 MaxDP=4.40D-07 DE=-2.05D-11 OVMax= 9.64D-09

 SCF Done:  E(RM11) =  -680.563203913     A.U. after   15 cycles
            NFock= 15  Conv=0.11D-08     -V/T= 2.1219
 KE= 6.066338336209D+02 PE=-3.904089602928D+03 EE= 1.418357038778D+03
 Leave Link  502 at Thu Jul  8 22:05:52 2021, MaxMem= 10737418240 cpu:           23802.9 elap:            1489.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.29721176D+03

 Leave Link  801 at Thu Jul  8 22:05:53 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.65D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.29D-01 4.34D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 3.74D-02 5.15D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 5.47D-03 1.87D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 8.80D-04 5.59D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 8.54D-05 2.39D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 1.96D-05 9.92D-04.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 3.49D-06 3.16D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 4.09D-07 1.05D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 2.63D-08 3.36D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 1.18D-09 6.44D-06.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 4.11D-11 9.25D-07.
      3 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 1.25D-12 1.39D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 3.83D-14 1.60D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   134 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.154702D+03
      2 -0.205923D-01  0.154640D+03
      3  0.245483D-01  0.172289D-01  0.120739D+03
 Isotropic polarizability for W=    0.085645      143.36 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.319257D+02 -0.784217D+02 -0.137353D+00
      2  -0.319027D+02  0.784209D+02  0.128668D+00
      3  -0.230180D-01  0.822942D-03  0.868468D-02
      4  -0.782516D+02 -0.316611D+02 -0.896398D-01
      5  -0.700862D-01  0.513563D+01  0.103858D+00
      6  -0.527377D+01  0.117134D+00  0.284682D-02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.532982D+01 -0.174545D-01  0.914838D-01
      2  -0.125317D+00  0.520623D+01 -0.230398D-01
      3   0.923778D-01 -0.134432D+00 -0.814731D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.522527D+01 -0.115334D-01 -0.202388D-02
      2  -0.672663D-01  0.518413D+01  0.126876D+00
      3   0.170104D+00 -0.241540D+00 -0.104094D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.164224D+00  0.258430D-01 -0.249553D-01
      2   0.258430D-01 -0.112714D+00  0.250351D-01
      3  -0.249553D-01  0.250351D-01  0.266567D+01
 OR G Eigenvalues:    -0.1753    -0.1020     2.6661  Iso=    -0.7962
 Eigenvectors:
   (1)   0.922675  -0.385407   0.011501
   (2)   0.385479   0.922704  -0.004871
   (3)  -0.008735   0.008927   0.999922
 w=    0.085645 a.u., Optical Rotation Beta=     -0.7962 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =     -133.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 8.79D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.25D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.24D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 4.96D-01 3.30D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.93D-02 2.85D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 3.38D-04 3.48D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 1.05D-05 3.78D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 2.28D-07 7.31D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 2.87D-09 6.75D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 3.13D-11 6.68D-07.
     29 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 3.74D-13 6.24D-08.
      8 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 4.91D-15 1.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   277 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 2.60D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 2.60D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.59D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154702D+03 -0.205923D-01  0.245483D-01
      2  -0.205923D-01  0.154640D+03  0.172289D-01
      3   0.245483D-01  0.172289D-01  0.120739D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.532982D+01 -0.174545D-01  0.914838D-01
      2  -0.125317D+00  0.520623D+01 -0.230398D-01
      3   0.923778D-01 -0.134432D+00 -0.814731D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.319257D+02 -0.784217D+02 -0.137353D+00
      2  -0.319027D+02  0.784209D+02  0.128668D+00
      3  -0.230180D-01  0.822942D-03  0.868468D-02
      4  -0.782516D+02 -0.316611D+02 -0.896398D-01
      5  -0.700862D-01  0.513563D+01  0.103858D+00
      6  -0.527377D+01  0.117134D+00  0.284682D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.478587D+00  0.150356D+01 -0.148826D+01  0.868724D+00  0.847719D+00
      2   0.150356D+01  0.163174D+01 -0.329262D+01  0.847719D+00  0.319955D+01
      3  -0.148826D+01 -0.329262D+01 -0.136560D+00 -0.342149D+01 -0.309015D+00
                 6             7             8             9            10 
      1  -0.342149D+01 -0.177222D+01 -0.459606D+01  0.283666D+00  0.400804D+01
      2  -0.309015D+00 -0.459606D+01 -0.979124D+00  0.280615D+01  0.474665D+00
      3   0.176894D+01  0.283666D+00  0.280615D+01 -0.230836D+00  0.214783D+01
                11            12            13            14            15 
      1   0.474665D+00  0.214783D+01  0.152922D+01  0.935574D+00  0.315084D+01
      2   0.576915D+00  0.328333D+01  0.935574D+00 -0.410623D+00 -0.347828D+00
      3   0.328333D+01  0.170128D+01  0.315084D+01 -0.347828D+00 -0.578325D+00
                16            17            18            19            20 
      1   0.352048D+01  0.419974D+01  0.285985D+01 -0.952197D+01 -0.178892D+01
      2   0.419974D+01 -0.599924D+00 -0.407297D+00 -0.178892D+01  0.319706D+00
      3   0.285985D+01 -0.407297D+00  0.226701D+00 -0.437404D+01 -0.238097D+01
                21            22            23            24            25 
      1  -0.437404D+01 -0.413360D+01 -0.421606D+00 -0.282494D+01 -0.340759D+01
      2  -0.238097D+01 -0.421606D+00 -0.125238D+01  0.221322D-01 -0.157909D+01
      3  -0.197602D+01 -0.282494D+01  0.221322D-01  0.313010D+00 -0.225949D+01
                26            27            28            29            30 
      1  -0.157909D+01 -0.225949D+01 -0.569284D+00  0.141266D+01  0.206810D-01
      2  -0.429058D-01  0.983961D+00  0.141266D+01  0.555251D+00 -0.157398D+01
      3   0.983961D+00  0.525066D+00  0.206810D-01 -0.157398D+01 -0.593200D-02
                31            32            33            34            35 
      1   0.140259D+01  0.553020D+00  0.157612D+01  0.696863D-02 -0.820543D-02
      2   0.553020D+00 -0.137962D+01 -0.914420D-02 -0.820543D-02  0.510538D-02
      3   0.157612D+01 -0.914420D-02 -0.196493D-02  0.348902D-02  0.213682D-02
                36            37            38            39            40 
      1   0.348902D-02 -0.196158D+01 -0.211311D+01  0.162019D+01 -0.820816D+00
      2   0.213682D-02 -0.211311D+01 -0.565769D+01  0.355501D+01 -0.357655D+01
      3   0.115007D-01  0.162019D+01  0.355501D+01 -0.225632D+00  0.311497D+01
                41            42            43            44            45 
      1  -0.357655D+01  0.311497D+01  0.109700D+01  0.222265D+01  0.365416D+00
      2  -0.669106D+01  0.272693D+01  0.222265D+01  0.234618D+01 -0.240494D+01
      3   0.272693D+01 -0.199082D+01  0.365416D+00 -0.240494D+01 -0.543669D+00
                46            47            48            49            50 
      1   0.105174D+02  0.924045D+00  0.535032D+01 -0.153766D+01 -0.748751D-01
      2   0.924045D+00 -0.193302D+00 -0.981812D+00 -0.748751D-01 -0.132150D+01
      3   0.535032D+01 -0.981812D+00  0.184066D+01 -0.138907D+01 -0.100437D+01
                51            52            53            54            55 
      1  -0.138907D+01  0.393548D+01 -0.574300D+00  0.185763D+01 -0.420284D+01
      2  -0.100437D+01 -0.574300D+00 -0.490383D+00  0.151261D+01 -0.260044D+00
      3   0.786930D+00  0.185763D+01  0.151261D+01 -0.539112D+00 -0.364136D+01
                56            57            58            59            60 
      1  -0.260044D+00 -0.364136D+01  0.737574D+00 -0.427035D+00  0.214053D+01
      2  -0.346971D+00  0.227027D+01 -0.427035D+00 -0.792381D+00  0.173692D+01
      3   0.227027D+01 -0.150932D+01  0.214053D+01  0.173692D+01 -0.949654D+00
                61            62            63            64            65 
      1  -0.539481D+01  0.266978D+01 -0.264245D+01 -0.171617D+01  0.190751D+01
      2   0.266978D+01  0.239968D+01 -0.112158D+01  0.190751D+01 -0.149984D+01
      3  -0.264245D+01 -0.112158D+01 -0.260118D+00  0.314250D+01 -0.266893D+01
                66            67            68            69            70 
      1   0.314250D+01  0.113932D+01 -0.839848D+00 -0.274481D+01  0.411697D+01
      2  -0.266893D+01 -0.839848D+00  0.218691D+01 -0.126136D+01 -0.388248D+01
      3  -0.336001D+00 -0.274481D+01 -0.126136D+01  0.175711D+01 -0.106830D+01
                71            72            73            74            75 
      1  -0.388248D+01 -0.106830D+01  0.390820D+01 -0.379659D+01 -0.332195D+01
      2  -0.121024D+01  0.270470D+01 -0.379659D+01  0.540463D+01  0.340535D+01
      3   0.270470D+01  0.270268D+00 -0.332195D+01  0.340535D+01  0.711900D+00
                76            77            78            79            80 
      1  -0.201383D+01  0.372298D+01  0.297090D+01 -0.226342D+01  0.223416D+01
      2   0.372298D+01 -0.327517D+01 -0.101016D+01  0.223416D+01 -0.119610D+01
      3   0.297090D+01 -0.101016D+01 -0.185627D+01  0.244896D+00 -0.243308D+01
                81            82            83            84            85 
      1   0.244896D+00 -0.104131D+01  0.790835D+00  0.117910D+01  0.136246D+01
      2  -0.243308D+01  0.790835D+00  0.974370D+00 -0.344848D+00  0.339059D+01
      3   0.522537D+00  0.117910D+01 -0.344848D+00  0.124100D+01 -0.798414D+00
                86            87            88            89            90 
      1   0.339059D+01 -0.798414D+00  0.531757D+00 -0.660147D+00  0.194724D+01
      2   0.923586D+01 -0.539305D+01 -0.660147D+00 -0.390533D+01  0.143782D+01
      3  -0.539305D+01  0.151796D+01  0.194724D+01  0.143782D+01  0.596444D+00
                91            92            93            94            95 
      1  -0.110219D+01 -0.371918D+00 -0.250198D+01 -0.517739D+00 -0.120335D+01
      2  -0.371918D+00 -0.201034D+00 -0.512358D+00 -0.120335D+01 -0.385373D+01
      3  -0.250198D+01 -0.512358D+00 -0.137257D+01 -0.607310D+00  0.432265D+01
                96            97            98            99           100 
      1  -0.607310D+00 -0.329930D+01 -0.332754D+00 -0.180980D+01  0.145536D+01
      2   0.432265D+01 -0.332754D+00  0.619083D+01 -0.230342D+01 -0.539656D+00
      3  -0.119872D+01 -0.180980D+01 -0.230342D+01  0.194599D+00  0.231339D+01
               101           102           103           104           105 
      1  -0.539656D+00  0.231339D+01 -0.998455D+00  0.184399D+01  0.115397D+01
      2   0.919565D+00  0.129030D+01  0.184399D+01 -0.302070D+01 -0.415349D+01
      3   0.129030D+01  0.161888D+01  0.115397D+01 -0.415349D+01 -0.830027D+00
               106           107           108           109           110 
      1   0.284816D+01  0.201716D+01  0.230860D+01 -0.390751D+00  0.240569D+01
      2   0.201716D+01 -0.573229D+01 -0.172437D+01  0.240569D+01 -0.230092D+01
      3   0.230860D+01 -0.172437D+01 -0.237324D+00 -0.427478D+00 -0.194475D+01
               111           112           113           114           115 
      1  -0.427478D+00  0.362240D+01 -0.450202D+01 -0.239214D+01  0.122281D+00
      2  -0.194475D+01 -0.450202D+01  0.681608D+01  0.477996D+01 -0.167110D+01
      3  -0.162597D+01 -0.239214D+01  0.477996D+01  0.121814D+01 -0.225505D+01
               116           117           118           119           120 
      1  -0.167110D+01 -0.225505D+01 -0.498441D+00 -0.917266D+00  0.325459D+00
      2   0.330280D+01  0.872212D+00 -0.917266D+00 -0.468591D+00  0.415121D+00
      3   0.872212D+00 -0.550646D+00  0.325459D+00  0.415121D+00 -0.281962D+00
               121           122           123           124           125 
      1  -0.149656D+01  0.465148D+00  0.116598D+00  0.806987D+00  0.254146D+00
      2   0.465148D+00 -0.503162D+01  0.167574D+01  0.254146D+00  0.277789D+01
      3   0.116598D+00  0.167574D+01 -0.148221D+01  0.213245D+00 -0.201666D+01
               126           127           128           129           130 
      1   0.213245D+00  0.644593D+01 -0.298264D+01 -0.225545D+01 -0.245333D+01
      2  -0.201666D+01 -0.298264D+01  0.252004D+01  0.132065D+01  0.252293D+01
      3   0.217765D+01 -0.225545D+01  0.132065D+01  0.169159D+01  0.124168D+01
               131           132           133           134           135 
      1   0.252293D+01  0.124168D+01 -0.349408D+01  0.242204D+01  0.259357D+01
      2  -0.324920D+01 -0.109605D+01  0.242204D+01 -0.181623D+01 -0.208216D+01
      3  -0.109605D+01 -0.116334D+01  0.259357D+01 -0.208216D+01 -0.268658D+01
               136           137           138           139           140 
      1   0.295922D+01  0.124272D+01 -0.718202D+00  0.231389D+01  0.122501D+01
      2   0.124272D+01  0.999396D+00 -0.520502D+00  0.122501D+01  0.294343D+01
      3  -0.718202D+00 -0.520502D+00  0.863406D+00 -0.774494D+00 -0.124864D+01
               141           142           143           144           145 
      1  -0.774494D+00 -0.151593D+01 -0.954681D+00  0.157738D+01  0.905106D+01
      2  -0.124864D+01 -0.954681D+00 -0.201117D+01  0.123881D+01 -0.113916D+01
      3   0.121108D+01  0.157738D+01  0.123881D+01 -0.216482D+01  0.296618D+01
               146           147           148           149           150 
      1  -0.113916D+01  0.296618D+01 -0.153585D+01  0.168262D+01 -0.631543D+00
      2   0.130031D+01 -0.555061D+00  0.168262D+01 -0.859817D+00  0.397751D+00
      3  -0.555061D+00  0.204941D+01 -0.631543D+00  0.397751D+00 -0.402384D+00
               151           152           153           154           155 
      1   0.510277D+01 -0.859820D+00  0.331471D+01  0.389539D+01  0.128625D+01
      2  -0.859820D+00  0.230084D+00 -0.384819D+00  0.128625D+01  0.225290D+01
      3   0.331471D+01 -0.384819D+00  0.267050D+01  0.159212D+01  0.606291D+00
               156           157           158           159           160 
      1   0.159212D+01  0.778544D+00  0.133484D+01  0.307376D+00  0.253072D+01
      2   0.606291D+00  0.133484D+01  0.164880D+01  0.471084D+00  0.711221D+00
      3   0.142542D+01  0.307376D+00  0.471084D+00  0.504840D+00  0.165959D+01
               161           162           163           164           165 
      1   0.711221D+00  0.165959D+01  0.297510D+00  0.153449D+01 -0.307710D+00
      2   0.109064D+01  0.120239D+01  0.153449D+01  0.192484D+00 -0.123550D+00
      3   0.120239D+01  0.219911D+01 -0.307710D+00 -0.123550D+00  0.179232D+00
               166           167           168           169           170 
      1   0.123682D+01  0.636663D+00 -0.179932D+00 -0.139162D+00 -0.497127D+00
      2   0.636663D+00  0.933432D+01 -0.306609D+01 -0.497127D+00 -0.521391D+01
      3  -0.179932D+00 -0.306609D+01  0.206995D+01  0.509148D+00  0.329333D+01
               171           172           173           174           175 
      1   0.509148D+00 -0.459749D+01  0.103446D+01 -0.170082D+01  0.315485D+00
      2   0.329333D+01  0.103446D+01 -0.191268D+01  0.234087D+00 -0.117004D+01
      3  -0.265505D+01 -0.170082D+01  0.234087D+00 -0.148419D+01 -0.187095D-01
               176           177           178           179           180 
      1  -0.117004D+01 -0.187095D-01 -0.276820D+01  0.262488D+00 -0.188507D+01
      2   0.544600D+00 -0.320904D+00  0.262488D+00 -0.798528D+00  0.751195D+00
      3  -0.320904D+00  0.145557D+00 -0.188507D+01  0.751195D+00 -0.216815D+01
               181           182           183           184           185 
      1  -0.151971D+01  0.191585D+01  0.530020D+00  0.175582D+01 -0.215549D+01
      2   0.191585D+01 -0.168899D+01 -0.800681D+00 -0.215549D+01  0.837467D+01
      3   0.530020D+00 -0.800681D+00 -0.702715D+00 -0.850751D+00  0.281920D+01
               186           187           188           189           190 
      1  -0.850751D+00  0.700271D+00 -0.166430D+01 -0.132917D+01 -0.417630D+01
      2   0.281920D+01 -0.166430D+01  0.460606D+01  0.305039D+01  0.898704D+00
      3   0.196551D+01 -0.132917D+01  0.305039D+01  0.266053D+01  0.115287D+01
               191           192           193           194           195 
      1   0.898704D+00  0.115287D+01  0.189690D+01 -0.106009D+01 -0.824008D+00
      2  -0.105796D+01 -0.546609D+00 -0.106009D+01  0.216760D+01  0.913151D+00
      3  -0.546609D+00 -0.113578D+01 -0.824008D+00  0.913151D+00  0.958845D+00
               196           197           198           199           200 
      1   0.203925D+01 -0.947297D+00 -0.184603D+01 -0.763424D+01 -0.239131D+01
      2  -0.947297D+00  0.149809D+01  0.822252D+00 -0.239131D+01 -0.183594D+01
      3  -0.184603D+01  0.822252D+00  0.219412D+01 -0.252557D+01 -0.111445D+01
               201           202           203           204           205 
      1  -0.252557D+01 -0.263299D+01 -0.228493D+01 -0.114648D+01 -0.434873D+01
      2  -0.111445D+01 -0.228493D+01 -0.225285D+01 -0.828753D+00 -0.192031D+01
      3  -0.186714D+01 -0.114648D+01 -0.828753D+00 -0.873122D+00 -0.309361D+01
               206           207           208           209           210 
      1  -0.192031D+01 -0.309361D+01  0.131685D+01 -0.893544D+00 -0.548216D+00
      2  -0.958899D+00 -0.120803D+01 -0.893544D+00  0.125308D+01  0.689217D+00
      3  -0.120803D+01 -0.268413D+01 -0.548216D+00  0.689217D+00  0.626704D+00
               211           212           213           214           215 
      1  -0.117977D+01  0.260510D+00  0.404314D+00 -0.105014D+01  0.707886D+00
      2   0.260510D+00 -0.494592D+01 -0.147621D+01  0.707886D+00 -0.247394D+01
      3   0.404314D+00 -0.147621D+01 -0.134711D+01  0.306990D+00 -0.200095D+01
               216           217           218           219           220 
      1   0.306990D+00 -0.426259D+01 -0.289798D+01  0.151986D+01 -0.236756D+01
      2  -0.200095D+01 -0.289798D+01 -0.290195D+01  0.137402D+01 -0.282569D+01
      3  -0.217737D+01  0.151986D+01  0.137402D+01 -0.132926D+01  0.131968D+01
               221           222           223           224           225 
      1  -0.282569D+01  0.131968D+01  0.209707D+01  0.240794D+01 -0.193265D+01
      2  -0.542372D+01  0.179589D+01  0.240794D+01  0.300232D+01 -0.261396D+01
      3   0.179589D+01 -0.155442D+01 -0.193265D+01 -0.261396D+01  0.265524D+01
               226           227           228           229           230 
      1   0.243635D+01 -0.302545D+00  0.268256D+00 -0.170251D+01  0.129319D+01
      2  -0.302545D+00  0.310895D+01 -0.201477D+01  0.129319D+01 -0.357706D+01
      3   0.268256D+00 -0.201477D+01  0.151390D+01 -0.100492D+01  0.133096D+01
               231           232           233           234           235 
      1  -0.100492D+01  0.362712D+00 -0.116326D+01  0.737291D+00 -0.131153D+01
      2   0.133096D+01 -0.116326D+01  0.677375D+00 -0.828453D+00 -0.241285D+00
      3  -0.128593D+01  0.737291D+00 -0.828453D+00  0.171582D+01  0.102395D+01
               236           237           238           239           240 
      1  -0.241285D+00  0.102395D+01  0.525721D+00  0.116461D+01 -0.892009D+00
      2  -0.225446D+00 -0.250456D+00  0.116461D+01  0.190584D+01 -0.291968D+00
      3  -0.250456D+00 -0.152660D+01 -0.892009D+00 -0.291968D+00  0.143268D+01
               241           242           243           244           245 
      1   0.124495D+01  0.151442D+00 -0.129948D+01 -0.193765D+01  0.145310D+01
      2   0.151442D+00  0.114726D+01 -0.203500D+00  0.145310D+01 -0.173204D+01
      3  -0.129948D+01 -0.203500D+00  0.559862D+01 -0.476551D+00  0.108475D+01
               246           247           248           249           250 
      1  -0.476551D+00  0.352890D+01 -0.848640D+00  0.208253D+01 -0.171202D-01
      2   0.108475D+01 -0.848640D+00  0.319046D+01 -0.112072D+01  0.108654D+01
      3  -0.835160D+00  0.208253D+01 -0.112072D+01  0.180279D+01 -0.584606D+00
               251           252           253           254           255 
      1   0.108654D+01 -0.584606D+00  0.216605D+01  0.499703D+00  0.466897D+00
      2  -0.963200D+00  0.926618D+00  0.499703D+00 -0.279708D+00  0.459886D+00
      3   0.926618D+00 -0.168799D+01  0.466897D+00  0.459886D+00  0.950502D+00
               256           257           258           259           260 
      1  -0.107148D+01 -0.654212D+00 -0.173279D+00 -0.126294D+01 -0.157992D+00
      2  -0.654212D+00 -0.110280D+01 -0.123605D+01 -0.157992D+00 -0.116116D+01
      3  -0.173279D+00 -0.123605D+01 -0.186902D+01 -0.543953D+00 -0.119635D+01
               261           262           263           264           265 
      1  -0.543953D+00 -0.525797D+01  0.230830D+00  0.237455D+01 -0.661199D+00
      2  -0.119635D+01  0.230830D+00 -0.207417D+01 -0.199951D+00  0.822135D-01
      3  -0.560810D+01  0.237455D+01 -0.199951D+00 -0.186766D+01  0.837631D+00
               266           267           268           269           270 
      1   0.822135D-01  0.837631D+00  0.159379D+01  0.485863D+00 -0.107416D+01
      2  -0.151652D+01 -0.794915D+00  0.485863D+00 -0.603433D+00 -0.249352D+00
      3  -0.794915D+00 -0.692062D+00 -0.107416D+01 -0.249352D+00  0.170373D+01
               271           272           273           274           275 
      1   0.626488D+00 -0.854548D+00  0.528423D+00 -0.309429D-01  0.878140D+00
      2  -0.854548D+00  0.226505D+01  0.118118D+01  0.878140D+00  0.152127D+00
      3   0.528423D+00  0.118118D+01  0.200529D+01  0.521715D+00  0.244160D+00
               276           277           278           279           280 
      1   0.521715D+00  0.103923D+01 -0.524714D-01  0.446189D+00  0.493925D+01
      2   0.244160D+00 -0.524714D-01  0.139913D+01  0.125705D+01  0.902590D+00
      3   0.621640D+00  0.446189D+00  0.125705D+01  0.561316D+01 -0.231259D+01
               281           282           283           284           285 
      1   0.902590D+00 -0.231259D+01  0.617692D+00  0.414213D+00 -0.108321D-01
      2   0.267546D+01 -0.100825D+01  0.414213D+00 -0.795227D+00  0.700709D+00
      3  -0.100825D+01  0.196290D+01 -0.108321D-01  0.700709D+00 -0.165640D+00
               286           287           288           289           290 
      1  -0.171230D+01 -0.134823D+00  0.111811D+01 -0.412286D+00 -0.107299D+00
      2  -0.134823D+00  0.653411D+00  0.584362D-01 -0.107299D+00 -0.235833D+01
      3   0.111811D+01  0.584362D-01 -0.172638D+01 -0.948917D+00  0.956956D+00
               291           292           293           294           295 
      1  -0.948917D+00  0.325605D+00 -0.852933D+00  0.331787D+00 -0.105361D+01
      2   0.956956D+00 -0.852933D+00 -0.860282D+00  0.102937D+00  0.414916D-01
      3  -0.206353D+01  0.331787D+00  0.102937D+00  0.117032D+00 -0.760627D+00
               296           297           298           299           300 
      1   0.414916D-01 -0.760627D+00  0.372291D+00  0.105001D+01 -0.253374D+00
      2  -0.138285D+01  0.107061D+01  0.105001D+01  0.143651D+01  0.736860D+00
      3   0.107061D+01 -0.562114D+01 -0.253374D+00  0.736860D+00  0.362155D+00
               301           302           303           304           305 
      1   0.334766D+01  0.109970D+01  0.174200D+01 -0.412033D+00  0.738404D+00
      2   0.109970D+01  0.410451D+01  0.183815D+01  0.738404D+00  0.143210D+01
      3   0.174200D+01  0.183815D+01  0.196816D+01  0.364410D+00  0.106106D+01
               306           307           308           309           310 
      1   0.364410D+00 -0.184913D+01 -0.307278D+00 -0.422864D+00 -0.191274D+01
      2   0.106106D+01 -0.307278D+00  0.530217D+00  0.256204D-01  0.500550D+00
      3   0.171802D+01 -0.422864D+00  0.256204D-01 -0.468018D+00 -0.626096D+00
               311           312           313           314           315 
      1   0.500550D+00 -0.626096D+00  0.134751D+01 -0.123762D+00  0.846417D+00
      2  -0.652819D+00  0.120218D+01 -0.123762D+00  0.108345D+01 -0.101936D+01
      3   0.120218D+01 -0.204510D+01  0.846417D+00 -0.101936D+01  0.560043D+01
               316           317           318           319           320 
      1  -0.193333D+01  0.654223D-01  0.385981D+00 -0.170845D+01 -0.683258D+00
      2   0.654223D-01 -0.205662D+01 -0.156912D+01 -0.683258D+00 -0.477438D+01
      3   0.385981D+00 -0.156912D+01 -0.112620D+01 -0.582766D+00 -0.201317D+01
               321           322           323           324           325 
      1  -0.582766D+00  0.201549D+00 -0.946845D+00 -0.491978D+00  0.102284D+01
      2  -0.201317D+01 -0.946845D+00 -0.121763D+01 -0.980704D+00  0.371987D+00
      3  -0.162865D+01 -0.491978D+00 -0.980704D+00 -0.169669D+01 -0.683275D+00
               326           327           328           329           330 
      1   0.371987D+00 -0.683275D+00  0.147017D+01 -0.127365D+01 -0.111863D+01
      2  -0.124386D+00 -0.485236D+00 -0.127365D+01  0.123460D+01 -0.986249D-01
      3  -0.485236D+00  0.113200D+01 -0.111863D+01 -0.986249D-01  0.175462D+01
               331           332           333 
      1  -0.133431D+01  0.113880D+00  0.131861D+01
      2   0.113880D+00 -0.108514D+01  0.127250D+00
      3   0.131861D+01  0.127250D+00 -0.561593D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524370D+01 -0.649821D+01 -0.403953D+01 -0.785343D+01  0.372439D+01
      2   0.624225D+01  0.580092D+01  0.614583D+01  0.618752D+01 -0.431960D+01
      3   0.373249D+01 -0.573058D+01  0.116148D+01 -0.323385D+00  0.369528D+01
                 6             7             8             9            10 
      1   0.158642D+01 -0.532065D+01  0.270254D+01  0.181893D+01 -0.573358D+00
      2  -0.174346D+01  0.298022D+01  0.369538D+00 -0.173705D+01 -0.762939D+00
      3   0.101359D+02 -0.693778D+00  0.142599D+02  0.511713D+01 -0.176634D+01
                11            12            13            14            15 
      1   0.535529D+01 -0.113979D+00  0.545530D+01  0.202816D+01 -0.495640D+01
      2  -0.109763D+02 -0.538301D+00 -0.945835D+01 -0.141487D+01  0.580491D+01
      3   0.265452D-01  0.100737D+02  0.495837D+01 -0.552002D+01 -0.184175D+01
                16            17            18            19            20 
      1  -0.132779D+01 -0.105761D+01 -0.115581D+01  0.235358D+01 -0.113717D+02
      2  -0.102501D+01  0.620296D+01  0.212731D+01  0.246512D+02  0.465164D+01
      3   0.134329D+02 -0.436033D+01 -0.504706D+01 -0.968129D+01  0.984056D+01
                21            22            23            24            25 
      1   0.479471D+01 -0.222040D+02 -0.197937D+01 -0.121547D+02  0.397585D+01
      2   0.734521D+00 -0.201941D+01  0.943485D+00 -0.865670D+01 -0.316874D+02
      3  -0.698977D+01  0.357846D+02  0.622528D+01  0.146519D+02 -0.129339D+01
                26            27            28            29            30 
      1  -0.300325D+00 -0.220918D+00 -0.621101D+00  0.423462D+00 -0.500566D-01
      2  -0.113481D+02 -0.224247D+02  0.629755D+00  0.341286D+00 -0.745647D+01
      3   0.738844D+01  0.388709D+01  0.477588D+00  0.149375D+02  0.141434D+00
                31            32            33            34            35 
      1   0.181467D+00  0.158101D+00  0.766201D+01 -0.980215D-01 -0.202921D+02
      2   0.234245D+00 -0.577386D+00 -0.103244D+00  0.205140D+02 -0.124966D+00
      3  -0.149266D+02  0.248444D+00  0.281179D+00  0.350209D+00  0.985304D-01
                36            37            38            39            40 
      1  -0.200270D+00  0.519919D+00 -0.116623D+01  0.105188D+02  0.807526D+01
      2   0.652376D-01 -0.107409D+02 -0.191655D+02  0.797275D+01 -0.104487D+02
      3   0.165964D+00 -0.167829D+02 -0.285995D+02  0.122601D+02 -0.258632D+01
                41            42            43            44            45 
      1   0.242599D+02 -0.496448D+01  0.186658D+02  0.257573D+02 -0.218270D+02
      2   0.417096D+01 -0.671197D+01 -0.591650D+01 -0.112288D+02  0.575073D+01
      3   0.200344D+02 -0.105190D+02  0.673205D+01 -0.320542D+01 -0.389125D+01
                46            47            48            49            50 
      1   0.521061D+00 -0.101043D+02 -0.913969D+00 -0.223419D+02 -0.674171D+01
      2   0.242792D+02 -0.146013D+01 -0.185056D+01  0.240472D+01  0.636783D-01
      3  -0.315611D+01  0.106731D+02  0.283738D+01  0.366788D+02  0.592169D+01
                51            52            53            54            55 
      1  -0.147131D+02  0.501754D+01 -0.202528D+01  0.599297D+01 -0.778545D+00
      2   0.493478D+01 -0.338854D+02  0.260820D+01 -0.217630D+02 -0.663076D+01
      3   0.158869D+02 -0.849606D+00  0.736964D+01 -0.404808D+01  0.576337D+00
                56            57            58            59            60 
      1   0.267194D+01  0.103760D+01  0.320532D+01 -0.340113D+00 -0.315859D+01
      2   0.110321D+02  0.102783D+01  0.972435D+01  0.353538D+01 -0.662737D+01
      3  -0.118602D+01 -0.938710D+01  0.367972D+01  0.622353D+01 -0.421590D+01
                61            62            63            64            65 
      1   0.143414D+01  0.865628D+00  0.570470D+00  0.598197D+01 -0.286710D+01
      2   0.118515D+01 -0.627208D+01  0.226454D+01  0.108218D+02 -0.353803D+01
      3  -0.120478D+02 -0.763286D+01  0.501555D+01 -0.220030D+01 -0.517359D+01
                66            67            68            69            70 
      1   0.201874D+01 -0.405350D+01 -0.470239D+01  0.182307D+01  0.349054D+01
      2   0.622133D+01 -0.394915D+01 -0.796214D+01  0.392050D+01  0.399388D+01
      3  -0.361330D+01 -0.382861D+00 -0.485963D+01  0.961369D+01 -0.308549D+01
                71            72            73            74            75 
      1   0.382966D+01 -0.118176D+01  0.735902D+00  0.568425D+00 -0.102861D+02
      2   0.157061D+01 -0.191211D+01 -0.174164D+02  0.142323D+02  0.346385D+01
      3   0.140146D+02 -0.522082D+01  0.220920D+02 -0.175659D+02 -0.923756D+01
                76            77            78            79            80 
      1   0.118208D+02 -0.229584D+02 -0.940663D+01 -0.215803D+02  0.170984D+02
      2   0.810507D+01  0.481679D+01  0.637295D+01 -0.144996D+02  0.140167D+02
      3   0.845730D+01 -0.253631D+02 -0.133853D+02 -0.572553D+01 -0.468134D+01
                81            82            83            84            85 
      1   0.195525D+02 -0.188080D+01  0.337183D+01 -0.237476D+00  0.309910D+01
      2   0.109331D+02 -0.146339D+02 -0.199763D+02  0.150415D+02 -0.724952D+01
      3   0.398537D+01 -0.175042D+02 -0.313189D+02  0.160970D+02 -0.525552D+01
                86            87            88            89            90 
      1   0.238653D+02  0.208287D+01  0.643404D+01  0.304640D+02 -0.193697D+02
      2   0.167164D+01 -0.359742D+01 -0.990808D+00 -0.137137D+02  0.113316D+02
      3   0.142349D+02 -0.139592D+01  0.703744D+01 -0.248973D+01  0.374945D+01
                91            92            93            94            95 
      1   0.826930D+01  0.626691D+01  0.689755D+01  0.737802D+01 -0.109976D+02
      2  -0.105021D+01  0.904378D+00  0.105176D+01  0.207278D+00  0.809111D+00
      3  -0.655341D+01 -0.237926D+01 -0.650578D+01  0.274555D+01 -0.464583D+00
                96            97            98            99           100 
      1  -0.317629D+01  0.535320D+01 -0.292246D+01  0.272032D+01 -0.979355D+01
      2  -0.100740D+01 -0.273722D+01 -0.370750D+00 -0.113925D+00 -0.318135D+01
      3  -0.797074D+01 -0.108820D+02 -0.968487D+01 -0.511774D+01  0.586939D+01
               101           102           103           104           105 
      1   0.859190D+00 -0.575604D+01  0.176443D+01  0.126361D+02 -0.490182D+01
      2  -0.124138D+01 -0.757692D+00 -0.120133D+00  0.366337D+01  0.506876D-01
      3  -0.714332D+00  0.839275D+01  0.421508D+01  0.102661D+01 -0.593383D+01
               106           107           108           109           110 
      1  -0.356220D+01 -0.393984D+01 -0.237124D+01  0.381366D+01  0.539298D+01
      2  -0.371525D+01 -0.133513D+01 -0.679297D+00 -0.198888D+02  0.160934D+02
      3   0.129832D+02 -0.667297D+01  0.506448D+01  0.243253D+02 -0.211618D+02
               111           112           113           114           115 
      1  -0.373137D+01  0.831079D+01 -0.218517D+02  0.138408D+00 -0.124194D+02
      2   0.132111D+02  0.354511D+01  0.195304D+01  0.766246D+01 -0.803126D+01
      3  -0.152599D+02  0.510534D+01 -0.213460D+02 -0.554403D+01 -0.612419D+01
               116           117           118           119           120 
      1   0.237360D+02  0.159357D+02  0.103963D+01  0.122326D+01 -0.160274D+01
      2   0.199716D+02  0.160897D+02  0.922344D+00  0.146800D+01 -0.602253D+00
      3  -0.445908D+01 -0.395054D+01  0.599395D+01  0.342102D+01 -0.243999D+01
               121           122           123           124           125 
      1   0.526908D+00  0.489912D+01 -0.517871D+01  0.945872D-01 -0.399856D+01
      2   0.867989D+00  0.535115D+01 -0.394756D+01 -0.175055D+01 -0.538710D+01
      3   0.416288D+01  0.131301D+02 -0.551052D+01 -0.397935D+01 -0.891319D+01
               126           127           128           129           130 
      1   0.636455D+01 -0.271409D+01  0.157101D+01  0.332519D+01  0.887833D+00
      2   0.700664D+01 -0.252485D+01  0.277384D+01  0.514569D+01  0.125422D+01
      3   0.531292D+01 -0.475594D+01 -0.255837D+01  0.440431D+00 -0.636269D+00
               131           132           133           134           135 
      1  -0.244767D+00 -0.270589D+01  0.218528D+01 -0.604473D+00 -0.434621D+01
      2  -0.134555D+01 -0.339737D+01  0.832822D+00 -0.221210D+01 -0.619056D+01
      3   0.419383D+01  0.796106D+00  0.358825D+01 -0.440541D+00  0.272363D+00
               136           137           138           139           140 
      1   0.891832D-01 -0.251643D+00 -0.127924D+00 -0.183638D+00 -0.361257D+00
      2  -0.272927D+01 -0.244595D+01  0.357059D+01 -0.321005D+01 -0.567208D+01
      3  -0.569261D+01 -0.401269D+01  0.216442D+01 -0.321691D+01 -0.132350D+02
               141           142           143           144           145 
      1  -0.106117D+01 -0.223645D+00  0.161716D+01 -0.490307D+00  0.918073D+00
      2   0.547834D+01  0.393346D+01  0.533088D+01 -0.933236D+01  0.487776D+01
      3   0.555909D+01  0.339747D+01  0.894721D+01 -0.513787D+01 -0.131050D+01
               146           147           148           149           150 
      1   0.761338D+00  0.132364D+01  0.165493D+00 -0.265593D+00 -0.611320D+00
      2  -0.518409D+00  0.748046D+01 -0.204008D+01  0.777050D-01 -0.138027D+01
      3  -0.542981D+01 -0.295871D+00 -0.354427D+01  0.200825D+01 -0.838704D+00
               151           152           153           154           155 
      1   0.153472D+00  0.147180D+01  0.130017D+01 -0.699490D+01 -0.220587D+01
      2   0.292599D+01 -0.195706D+00  0.734927D+01  0.144001D+01  0.562637D+00
      3   0.282778D+01 -0.220776D+01 -0.207496D+00  0.146932D+02  0.785127D+00
               156           157           158           159           160 
      1  -0.589216D+01 -0.131751D+01 -0.166270D+01 -0.187361D+01 -0.659479D+01
      2   0.270577D+01  0.242428D+00  0.598723D+00  0.321985D+00  0.207246D+00
      3   0.607199D+01  0.149313D+01  0.469674D+01  0.609130D+00  0.985692D+01
               161           162           163           164           165 
      1  -0.208625D+01 -0.937082D+01 -0.120956D+00 -0.425771D+00 -0.671635D+00
      2   0.123550D+01  0.204569D+01  0.911280D-01  0.640184D+00  0.359676D+00
      3   0.924014D+00  0.536378D+01  0.530382D+00  0.400432D+01 -0.104569D+01
               166           167           168           169           170 
      1   0.106618D+01  0.507073D+01 -0.763282D+01 -0.976204D+00 -0.264318D+01
      2   0.740615D+00 -0.757721D+00  0.595543D+00 -0.126247D+01  0.975851D+00
      3   0.567647D+01 -0.109890D+01 -0.576377D-01 -0.140914D+01  0.333763D+01
               171           172           173           174           175 
      1   0.732093D+01  0.670640D+01 -0.464461D+00  0.519651D+01  0.225977D+00
      2  -0.665644D+00  0.335226D+01 -0.380739D+00  0.412507D+01  0.437270D-01
      3   0.231751D+00 -0.144185D+02 -0.184107D+01 -0.596084D+01 -0.122211D+01
               176           177           178           179           180 
      1   0.950843D+00 -0.475704D+00  0.644084D+01 -0.115995D+00  0.837512D+01
      2   0.733483D+00  0.201903D+00  0.219713D+01 -0.123182D+01  0.425348D+01
      3  -0.462675D+01 -0.957127D+00 -0.969601D+01 -0.150740D+01 -0.522915D+01
               181           182           183           184           185 
      1  -0.309236D+00  0.839214D+00  0.233725D+01  0.239925D+01 -0.428101D+01
      2   0.272494D+00 -0.572409D-01  0.119283D+01  0.170427D+00 -0.217662D+01
      3  -0.266701D+01  0.282494D+01  0.844828D+00  0.468953D+01  0.323667D+01
               186           187           188           189           190 
      1  -0.692159D+01  0.184470D+01 -0.200439D+01 -0.699780D+01  0.119981D+01
      2  -0.231432D+01 -0.503304D+00 -0.184402D+01 -0.252956D+01 -0.440132D+01
      3   0.148611D+00  0.495224D+00  0.357886D+01 -0.242933D+00  0.797416D+01
               191           192           193           194           195 
      1  -0.999404D+00 -0.830426D+00 -0.116868D+01  0.136180D+01  0.191829D+00
      2   0.245736D+01  0.468940D+01  0.334182D+01 -0.401093D+01 -0.462551D+01
      3  -0.523874D+01 -0.343106D+01 -0.466126D+01  0.114022D+02  0.492723D+01
               196           197           198           199           200 
      1  -0.149034D+01  0.263674D+01  0.287118D+01 -0.200204D+01 -0.179854D-01
      2   0.496858D+01 -0.376564D+01 -0.906826D+01  0.349301D+01  0.157758D+01
      3  -0.558307D+01  0.777386D+01  0.526984D+01  0.336035D+01 -0.396346D+01
               201           202           203           204           205 
      1  -0.275404D+01 -0.876404D+00  0.230282D+00 -0.168906D+01 -0.122788D+01
      2   0.619924D+01  0.268173D+01  0.982437D+00  0.279005D+01  0.251357D+01
      3   0.467413D+00 -0.210879D+01 -0.403184D+01 -0.700922D+00 -0.208691D+01
               206           207           208           209           210 
      1   0.105853D+01 -0.317176D+01 -0.212071D+01  0.249842D+01  0.310372D+01
      2   0.127936D+01  0.686206D+01  0.133521D+01 -0.172978D+01 -0.789649D+00
      3  -0.283185D+01  0.203505D+00 -0.840949D+01  0.464724D+01  0.370641D+01
               211           212           213           214           215 
      1   0.173343D+01 -0.522164D+01 -0.530727D+01  0.164248D+01 -0.499520D+01
      2  -0.137786D+01  0.327817D+01  0.236670D+01 -0.266904D+01  0.360528D+01
      3   0.529288D+01 -0.110124D+02 -0.469182D+01  0.607088D+01 -0.752836D+01
               216           217           218           219           220 
      1  -0.792451D+01  0.211415D+01  0.248651D+01 -0.356530D+01  0.149458D+01
      2   0.514386D+01 -0.655002D+00 -0.198728D+01  0.335877D+01 -0.895915D+00
      3  -0.527970D+01  0.526953D+01 -0.256334D-02 -0.679471D+00  0.153095D+01
               221           222           223           224           225 
      1   0.151741D+01 -0.448153D+01 -0.200554D+01 -0.168234D+01  0.572420D+01
      2  -0.211633D+01  0.359855D+01 -0.205749D+00  0.201838D+01 -0.483418D+01
      3  -0.465086D+01  0.838301D+00 -0.327964D+01 -0.121911D+01 -0.271786D+00
               226           227           228           229           230 
      1   0.650545D+00  0.492855D+01 -0.158923D-01  0.108053D+01 -0.138277D+01
      2  -0.588779D+01  0.552470D+01 -0.282020D+01  0.370908D+01 -0.367264D+01
      3  -0.736492D+01  0.788608D+01 -0.473457D+01  0.587711D+01 -0.535309D+01
               231           232           233           234           235 
      1  -0.127481D+01  0.139915D+01 -0.557079D+00  0.983083D+00  0.204491D+01
      2   0.286273D+01 -0.263073D+01  0.134976D+01 -0.235932D+01  0.534503D+00
      3   0.296288D+01 -0.116029D+01  0.117542D+01 -0.291180D+01  0.150394D+01
               236           237           238           239           240 
      1  -0.139577D+01 -0.364691D+01 -0.315070D+01 -0.304118D+01  0.624757D+01
      2   0.166147D+00  0.670417D+00 -0.158562D+01 -0.151211D+01 -0.925293D-01
      3  -0.160247D+01 -0.196996D+01 -0.235530D+01 -0.346772D+01  0.311077D+01
               241           242           243           244           245 
      1  -0.285358D+01  0.110457D+01  0.118000D+02 -0.146980D+01  0.274083D+01
      2  -0.169942D+01 -0.122551D+00 -0.278077D+01  0.612201D+00  0.463079D+00
      3  -0.241908D+01 -0.237923D+00  0.261655D+01  0.211554D+01 -0.439419D+01
               246           247           248           249           250 
      1  -0.165123D+01  0.559687D+01 -0.799740D+01  0.334243D+01 -0.528984D+00
      2   0.169064D+01  0.366970D+01  0.113459D+01 -0.120741D+01  0.372700D+00
      3   0.167960D+01 -0.652975D+01  0.106573D+02 -0.544636D+01  0.861940D+00
               251           252           253           254           255 
      1   0.238562D+01 -0.199638D+01 -0.270259D+01 -0.133257D+01 -0.141446D+01
      2  -0.223722D+01  0.153469D+01 -0.315665D+01 -0.114939D+01 -0.480174D+01
      3  -0.138495D+01  0.292507D+01  0.411970D+01  0.760049D+00  0.243920D+01
               256           257           258           259           260 
      1   0.888292D+00  0.156159D+01  0.739589D+00  0.464069D+00  0.234994D+01
      2  -0.184393D-01  0.253477D+01  0.516974D+01 -0.570155D+00  0.244849D+01
      3  -0.143233D-01 -0.218335D+01 -0.276147D+01 -0.855470D+00 -0.229238D+01
               261           262           263           264           265 
      1   0.455860D+00 -0.537289D+01 -0.266277D+01  0.393416D+01 -0.233995D+01
      2   0.120854D+02  0.717449D+01 -0.222866D-01 -0.102306D+01  0.428743D+01
      3  -0.257792D+01 -0.118124D+02 -0.322491D+01  0.498395D+01 -0.530744D+01
               266           267           268           269           270 
      1  -0.244298D+01  0.605036D+00  0.281454D+01  0.186307D+01 -0.254704D+01
      2  -0.178033D+01 -0.111858D+01 -0.166743D+00 -0.369684D-01  0.343464D+00
      3  -0.807088D+00  0.270568D+01  0.164615D+01  0.419726D+00 -0.295551D+01
               271           272           273           274           275 
      1  -0.449457D+00 -0.212203D+00 -0.394237D+01 -0.904784D+00  0.953614D-02
      2  -0.562574D-01 -0.463321D+01 -0.604185D+01 -0.227188D+01  0.130678D+01
      3  -0.500684D+00  0.347512D+01  0.364604D+01  0.276933D+01 -0.143960D+01
               276           277           278           279           280 
      1  -0.467678D+00 -0.512170D+00  0.427102D+00 -0.825582D+01  0.427470D+01
      2   0.186838D+00 -0.239728D+01 -0.248784D+01 -0.882839D+01  0.897018D+01
      3   0.187813D+00  0.968621D+00  0.229718D+01  0.261269D+01  0.131047D+02
               281           282           283           284           285 
      1  -0.219737D+01 -0.347274D+01 -0.792085D+00  0.198279D+01 -0.629050D+00
      2   0.197826D+01 -0.222315D+01 -0.204200D+01 -0.178101D+01  0.642425D+00
      3   0.545781D-01 -0.547941D+01 -0.198533D+01 -0.571399D+00  0.130339D+01
               286           287           288           289           290 
      1  -0.304770D+01  0.106074D+01  0.237881D+01  0.107627D+01 -0.102695D+01
      2  -0.101398D+01  0.225852D+00  0.978557D+00 -0.137694D+01  0.374107D+01
      3  -0.172937D+01 -0.440183D-01  0.297900D+01 -0.919466D+00  0.285936D+01
               291           292           293           294           295 
      1   0.519660D+01 -0.109561D+01 -0.100548D+01  0.986701D+00  0.113864D+01
      2  -0.455588D+01  0.133185D+01  0.270989D+01 -0.144767D+01 -0.274811D+01
      3  -0.355699D+01  0.214379D+01  0.287570D+01 -0.705315D+00 -0.152614D+01
               296           297           298           299           300 
      1   0.180204D+00  0.102059D+02 -0.662296D+00  0.602001D+00  0.393097D+00
      2   0.178368D+01 -0.638331D+01  0.158512D+01 -0.108321D+00  0.152130D+01
      3   0.189875D+01 -0.257151D+01  0.573502D-01 -0.157378D+01 -0.254229D+00
               301           302           303           304           305 
      1   0.410335D+01  0.934504D+01  0.302411D+01  0.530709D-01  0.174171D+01
      2  -0.259679D+01  0.252738D+01  0.250249D+01 -0.211615D+00  0.278389D+01
      3  -0.351141D+01 -0.128148D+02 -0.557679D+01 -0.563252D+00 -0.153201D+01
               306           307           308           309           310 
      1   0.161647D+01  0.317037D+01 -0.239295D+00  0.194856D+01  0.216057D+01
      2   0.201779D+01 -0.222778D+01 -0.295084D+00 -0.297216D+01 -0.929015D+00
      3  -0.297863D+01 -0.382004D+01 -0.733947D+00 -0.168413D+01 -0.150531D+01
               311           312           313           314           315 
      1  -0.196058D+01  0.262433D+01 -0.110728D+01  0.273817D+01 -0.349819D+01
      2   0.210185D+01 -0.574663D+01 -0.112746D+00 -0.186958D+01  0.115505D+02
      3   0.201676D+01 -0.329358D+01  0.146478D+01 -0.197921D+01  0.261134D+01
               316           317           318           319           320 
      1  -0.111727D+01  0.523422D+01  0.946214D+00  0.104812D+01  0.410250D+01
      2  -0.382411D+01 -0.430812D+01 -0.189411D+01 -0.342743D+01 -0.524468D+01
      3   0.374107D+01  0.749242D+01  0.394970D+01  0.538352D+01  0.887141D+01
               321           322           323           324           325 
      1  -0.265012D+00 -0.546046D+00 -0.382547D+00 -0.345258D+00 -0.552157D+00
      2  -0.373853D+01 -0.243770D+01 -0.215820D+01 -0.249453D+01 -0.119404D+00
      3   0.416780D+01  0.844808D+00  0.146907D+01  0.286691D+01 -0.205632D+00
               326           327           328           329           330 
      1  -0.235578D+01  0.174397D+01 -0.440602D+01  0.172330D+01  0.661344D+01
      2  -0.403617D+00  0.108617D+01  0.891046D+00 -0.620415D+00  0.200035D+01
      3  -0.255269D+01  0.115564D+01 -0.327811D+01  0.213657D+01  0.347978D+01
               331           332           333 
      1   0.280542D+01  0.178922D+01 -0.107042D+02
      2  -0.104977D+01  0.176003D+00 -0.565612D+01
      3   0.243091D+01  0.352522D+00 -0.261096D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.312066D+01 -0.270954D+01 -0.103701D+01 -0.478855D+00  0.550342D+01
      2  -0.350273D+01 -0.419856D+00  0.131959D+02  0.241077D+00 -0.120626D+02
      3   0.382064D+00  0.312940D+01 -0.121589D+02  0.237778D+00  0.655914D+01
      4  -0.617615D+01 -0.127405D+02  0.172819D+02 -0.825765D+01 -0.133279D+02
      5   0.675799D+01  0.138471D+02 -0.340835D+01  0.138705D+02  0.488751D+01
      6   0.882667D+01  0.170769D+02 -0.897932D+00  0.168919D+02  0.321316D+00
                 6             7             8             9            10 
      1   0.154018D+02 -0.464205D+01  0.162755D+02  0.762122D+01 -0.198670D+02
      2  -0.990731D+01  0.153981D+02 -0.115370D+02 -0.115129D+02  0.127029D+02
      3  -0.549448D+01 -0.107561D+02 -0.473852D+01  0.389167D+01  0.716415D+01
      4   0.139253D+02  0.201855D+02  0.186403D+02 -0.819189D+01 -0.121787D+02
      5  -0.828945D+01 -0.298752D+01 -0.102970D+02  0.187288D+01 -0.127810D+02
      6  -0.102401D+02 -0.247459D+01 -0.154041D+02  0.120982D+01 -0.937729D+01
                11            12            13            14            15 
      1  -0.787224D+00 -0.473851D+01 -0.479312D+01 -0.431230D+01 -0.208060D+02
      2   0.211876D+01 -0.387051D+01  0.294167D+01  0.434210D+01  0.105205D+02
      3  -0.133153D+01  0.860901D+01  0.185145D+01 -0.297936D-01  0.102855D+02
      4  -0.556214D+01 -0.209931D+02 -0.975181D+01  0.129184D+01 -0.578571D+01
      5  -0.196322D+02 -0.123294D+02 -0.197771D+02  0.868641D+00  0.133818D+01
      6  -0.768416D+01 -0.603152D+01 -0.759431D+01  0.405106D+00 -0.159133D+01
                16            17            18            19            20 
      1  -0.725356D+01 -0.237331D+02 -0.146777D+02  0.722138D+01  0.181488D+01
      2  -0.573628D+00  0.144773D+02  0.105286D+02 -0.552520D+01 -0.611624D+01
      3   0.782719D+01  0.925587D+01  0.414911D+01 -0.169618D+01  0.430136D+01
      4  -0.261497D+02 -0.599071D+01 -0.262432D+01  0.151434D+02 -0.217918D+00
      5  -0.184124D+02  0.112117D+01 -0.173821D+01  0.976803D+01  0.117311D+02
      6  -0.660136D+01 -0.814248D+00 -0.155720D+01  0.372884D+01 -0.763423D+00
                21            22            23            24            25 
      1   0.317826D+01  0.430488D+01 -0.335418D+01  0.116158D+02 -0.600525D+00
      2  -0.217058D+01 -0.563098D+01  0.318939D+01 -0.182715D+01 -0.106013D+01
      3  -0.100767D+01  0.132609D+01  0.164790D+00 -0.978861D+01  0.166066D+01
      4   0.132897D+02  0.397088D+01  0.684287D+01  0.903456D+00  0.759127D+01
      5   0.690489D+01  0.107302D+02 -0.415811D+01  0.151658D+01  0.444407D+01
      6   0.427114D+01 -0.166654D+01  0.151111D+01 -0.200630D+01  0.266759D+01
                26            27            28            29            30 
      1   0.107383D+02  0.701522D+01 -0.135417D+02 -0.315301D-01  0.448018D+01
      2  -0.309977D+01  0.814770D-01  0.296106D+01  0.834084D-01 -0.446325D+01
      3  -0.763849D+01 -0.709669D+01  0.105807D+02 -0.518783D-01 -0.169262D-01
      4  -0.304601D+00 -0.128244D+00  0.172313D-01 -0.810723D+01  0.183971D+01
      5  -0.648642D+00 -0.279968D+01  0.207923D+01  0.944003D+00 -0.345050D+01
      6  -0.155730D+01 -0.549828D+01  0.896409D+00 -0.223206D+01  0.334318D-01
                31            32            33            34            35 
      1  -0.793829D-02  0.275883D+01  0.192590D+01  0.698710D+01  0.283565D+01
      2   0.361303D-01 -0.131565D+02 -0.186808D+01 -0.694057D+01 -0.280421D+01
      3  -0.281920D-01  0.103976D+02 -0.578218D-01 -0.465206D-01 -0.314415D-01
      4  -0.808796D+01  0.145936D+00 -0.459860D+01  0.279995D+01 -0.690939D+01
      5   0.875170D+00 -0.226438D+01  0.568603D-01  0.374281D+01 -0.933363D-02
      6  -0.228723D+01 -0.106261D+01 -0.336312D+01 -0.262337D-01  0.370566D+01
                36            37            38            39            40 
      1   0.802772D+00  0.387977D+01 -0.311800D+01 -0.909708D+00 -0.588012D+01
      2   0.740348D+00 -0.535439D+01  0.268174D+01 -0.873595D+01  0.244632D+01
      3  -0.154312D+01  0.147462D+01  0.436265D+00  0.964566D+01  0.343380D+01
      4  -0.218734D-01  0.705762D+01  0.848025D+01 -0.748734D+01  0.446766D+01
      5   0.307292D-01 -0.174026D+01 -0.247131D+01  0.228000D+00 -0.365484D+01
      6  -0.265325D-01 -0.221904D+01 -0.124733D+02  0.342810D+01 -0.131527D+02
                41            42            43            44            45 
      1   0.539435D+01 -0.482982D+01  0.140213D+01 -0.349421D+01  0.580898D+00
      2  -0.232949D+01  0.647656D+01 -0.847345D+01  0.701205D+01  0.660806D+01
      3  -0.306486D+01 -0.164674D+01  0.707131D+01 -0.351784D+01 -0.718896D+01
      4   0.133682D+02 -0.111720D+02 -0.498506D+01 -0.567733D+01  0.163178D+01
      5  -0.483042D+01  0.610999D+01 -0.634038D+00  0.404284D+01  0.600441D+01
      6  -0.196913D+01  0.489411D+01  0.766668D+00  0.341656D+01  0.132240D+01
                46            47            48            49            50 
      1   0.149310D+02  0.256409D+01  0.119419D+02 -0.197346D+01 -0.338314D+00
      2  -0.145274D+02  0.191141D+01 -0.848471D+01  0.332663D+01  0.174068D+01
      3  -0.403571D+00 -0.447549D+01 -0.345721D+01 -0.135316D+01 -0.140236D+01
      4  -0.953188D+01 -0.259900D+01 -0.930113D+01  0.623070D+00 -0.801216D+01
      5   0.147654D+02 -0.637089D+01  0.784011D+01 -0.510246D+01 -0.788057D+01
      6   0.832328D+00 -0.281710D+01 -0.175189D+01 -0.343429D+01 -0.430445D+01
                51            52            53            54            55 
      1  -0.841276D+01  0.559173D+01 -0.872164D+01  0.630471D+01 -0.243918D+02
      2  -0.697345D+00 -0.503359D+01  0.861901D+00  0.766008D+00  0.180449D+02
      3   0.911010D+01 -0.558131D+00  0.785974D+01 -0.707071D+01  0.634690D+01
      4  -0.502277D+01 -0.547949D+01 -0.525804D+01  0.179973D+01  0.535406D+01
      5   0.926032D+00  0.426599D+01  0.215185D+01 -0.420675D+01 -0.246133D+02
      6  -0.280126D+01 -0.109208D+01 -0.168330D+01  0.453903D+01  0.660649D+01
                56            57            58            59            60 
      1  -0.199339D+01 -0.205613D+02  0.320072D+01 -0.138589D+01  0.173180D+02
      2  -0.946801D+00  0.937324D+01 -0.320478D+01  0.109311D+01 -0.945332D+01
      3   0.294019D+01  0.111881D+02  0.406206D-02  0.292785D+00 -0.786468D+01
      4  -0.194896D+01  0.169306D+02 -0.439703D+01 -0.520949D+01  0.694103D+01
      5   0.144950D+02 -0.130000D+02  0.147390D+02  0.100010D+02 -0.396697D+01
      6  -0.741414D+00  0.318020D+01 -0.620716D+00 -0.100810D+01 -0.115821D+01
                61            62            63            64            65 
      1  -0.256190D+02  0.185977D+02 -0.143183D+02 -0.412831D+01  0.858491D+01
      2   0.154214D+02 -0.115708D+02  0.102197D+02  0.230812D+01 -0.413491D+01
      3   0.101975D+02 -0.702694D+01  0.409858D+01  0.182019D+01 -0.444999D+01
      4   0.195699D+02  0.937921D+01 -0.389332D+01  0.124190D+02 -0.120392D+02
      5  -0.185564D+02 -0.575993D+01 -0.227133D+01  0.177489D+02 -0.150892D+02
      6   0.196419D+01 -0.523751D+00  0.105537D+01 -0.130607D+02  0.989563D+01
                66            67            68            69            70 
      1   0.135333D+02  0.474432D+01  0.870646D+00 -0.180566D+02  0.129933D+02
      2   0.272809D-01 -0.311187D+01 -0.586687D+01  0.157925D+02 -0.995206D+00
      3  -0.135606D+02 -0.163245D+01  0.499622D+01  0.226415D+01 -0.119981D+02
      4  -0.201153D+02 -0.821964D+01  0.102310D+02  0.111384D+01 -0.249083D+02
      5  -0.633859D+01 -0.147738D+02 -0.368502D+01  0.948911D+01 -0.758356D+01
      6   0.201532D+01  0.939429D+01  0.677633D+01 -0.758587D+01  0.504936D+01
                71            72            73            74            75 
      1  -0.215968D+02  0.207016D+01  0.667760D+01 -0.260495D+01 -0.736019D+01
      2   0.196171D+02 -0.620046D+01 -0.880369D+01  0.169009D+01 -0.162563D+01
      3   0.197976D+01  0.413030D+01  0.212609D+01  0.914864D+00  0.898582D+01
      4   0.371603D+01  0.123271D+02 -0.787511D+01  0.917901D+01  0.988600D+01
      5   0.129495D+02  0.245210D+01 -0.553982D+01  0.544211D+01  0.274335D+01
      6  -0.117280D+02 -0.867896D+00  0.721414D+01 -0.973420D+01 -0.393278D+01
                76            77            78            79            80 
      1   0.200586D+01  0.115993D+02  0.802563D+01 -0.307197D+01  0.485673D+01
      2   0.134890D+00 -0.786943D+01 -0.120656D+02 -0.285286D+01 -0.101012D+02
      3  -0.214075D+01 -0.372988D+01  0.403994D+01  0.592483D+01  0.524448D+01
      4   0.635200D+01 -0.586077D+01 -0.459895D+01  0.708048D+01 -0.519178D+00
      5   0.674459D+01 -0.190090D+01 -0.666279D+01  0.706050D+00 -0.472497D+01
      6  -0.101156D+02 -0.497663D+01  0.215487D+01 -0.140639D+01  0.204591D+01
                81            82            83            84            85 
      1   0.162436D+01 -0.247101D+01 -0.706117D+00  0.667581D+01 -0.332980D+01
      2   0.545763D+01  0.527194D+01  0.145323D+01  0.123461D+01  0.704686D+01
      3  -0.708199D+01 -0.280094D+01 -0.747110D+00 -0.791042D+01 -0.371706D+01
      4  -0.285179D+01 -0.775335D+01  0.110035D+01  0.681045D+01 -0.209419D+00
      5   0.613542D+01  0.778835D+01  0.132184D+01 -0.223042D+01  0.958623D+00
      6   0.318802D+00  0.747082D+01 -0.167939D+01  0.366449D+01 -0.415133D+00
                86            87            88            89            90 
      1  -0.169205D+02  0.100503D+02  0.439768D+01  0.617223D+01  0.201124D+01
      2   0.160642D+02 -0.157111D+02  0.299290D+01 -0.866628D+01  0.531915D+01
      3   0.856380D+00  0.566084D+01 -0.739058D+01  0.249404D+01 -0.733038D+01
      4  -0.658548D+00  0.110610D+01  0.723129D+01  0.106830D+00  0.291075D+01
      5  -0.602710D+01  0.998280D+00 -0.105649D+01  0.400438D+00 -0.317662D+01
      6  -0.145408D+02  0.699115D+01  0.360934D+01  0.371253D+01  0.543999D+01
                91            92            93            94            95 
      1  -0.190493D+01  0.450174D+00 -0.231478D+00  0.353086D+01  0.178806D+02
      2   0.224746D+00 -0.197652D+01 -0.452705D+01 -0.794145D+01 -0.229555D+02
      3   0.168019D+01  0.152635D+01  0.475852D+01  0.441059D+01  0.507488D+01
      4  -0.640298D+01 -0.281551D+01 -0.142872D+02 -0.223128D+01 -0.525090D+01
      5  -0.327624D+01 -0.246194D+01 -0.234684D+01 -0.223585D+01  0.155403D+01
      6  -0.147690D+02 -0.365421D+01 -0.727040D+01 -0.328018D+01  0.297307D+02
                96            97            98            99           100 
      1  -0.161734D+02 -0.144051D+01 -0.229616D+02  0.648690D+01 -0.344434D+01
      2   0.287571D+02 -0.275485D+01  0.344622D+02 -0.108056D+02  0.286481D+00
      3  -0.125837D+02  0.419536D+01 -0.115005D+02  0.431870D+01  0.315785D+01
      4  -0.348644D+01 -0.173468D+02 -0.220971D+01 -0.977525D+01  0.713714D+01
      5   0.221592D+00 -0.295701D+01 -0.242887D+01 -0.556207D+00 -0.735504D+01
      6  -0.118404D+02 -0.102816D+02 -0.166348D+02  0.204679D+01  0.120296D+02
               101           102           103           104           105 
      1  -0.371204D+01 -0.111767D+02 -0.614767D+01  0.114458D+02  0.126075D+02
      2   0.582946D+01  0.996351D+01  0.112008D+02 -0.152095D+02 -0.260018D+02
      3  -0.211742D+01  0.121320D+01 -0.505313D+01  0.376376D+01  0.133944D+02
      4  -0.478513D+01  0.108829D+02 -0.695110D+01  0.126213D+02  0.112778D+02
      5  -0.114891D+01 -0.458847D+01 -0.134087D+01  0.960531D+01  0.176819D+01
      6   0.814954D+01  0.910892D+01  0.816011D+01 -0.270469D+02 -0.963705D+01
               106           107           108           109           110 
      1  -0.147909D+02  0.170909D+02  0.620415D+00 -0.707199D+01  0.238816D+01
      2   0.136325D+02 -0.293074D+02 -0.474140D+01  0.106130D+02 -0.185345D+01
      3   0.115839D+01  0.122165D+02  0.412098D+01 -0.354101D+01 -0.534717D+00
      4   0.118885D+02  0.156094D+02  0.126348D+02  0.302133D+01  0.427100D+01
      5  -0.682637D+01  0.489372D+01  0.164719D+00  0.854259D+01  0.406871D+01
      6   0.126765D+02 -0.123560D+02 -0.237071D+01 -0.328280D+01 -0.637435D+01
               111           112           113           114           115 
      1   0.117505D+02  0.491932D+01 -0.140495D+02 -0.632755D+01  0.885066D+01
      2  -0.549424D+01 -0.745443D+01  0.122346D+02  0.137895D+02 -0.237702D+01
      3  -0.625629D+01  0.253511D+01  0.181486D+01 -0.746200D+01 -0.647364D+01
      4  -0.291504D+01  0.534614D+01 -0.603268D+01 -0.654792D+01 -0.475943D+01
      5  -0.363027D+00  0.419902D+01 -0.893390D+01 -0.314743D+01  0.365252D+00
      6  -0.585266D+01 -0.499448D+01  0.111185D+02  0.554599D+01 -0.454692D+01
               116           117           118           119           120 
      1  -0.300871D+01  0.371319D+01 -0.401901D+01 -0.732115D+01  0.211754D+01
      2   0.739772D+01  0.339328D+01  0.518462D+01  0.671433D+01 -0.312167D+01
      3  -0.438901D+01 -0.710647D+01 -0.116561D+01  0.606824D+00  0.100413D+01
      4  -0.499979D+01 -0.335516D+01 -0.238192D+01  0.387438D+01  0.714856D-02
      5  -0.128595D+01 -0.179687D+01  0.683087D+00  0.140090D+01  0.686607D+00
      6   0.233645D+01 -0.594420D+01 -0.207108D+01 -0.235578D+01  0.141923D+01
               121           122           123           124           125 
      1  -0.599407D+01 -0.157840D+02  0.683350D+01  0.393179D+01  0.111791D+02
      2   0.176068D+01  0.290345D+02 -0.100160D+02 -0.181668D+01 -0.152908D+02
      3   0.423339D+01 -0.132505D+02  0.318247D+01 -0.211511D+01  0.411170D+01
      4   0.866925D+01 -0.204421D+02  0.558058D+01 -0.257244D+01  0.105855D+02
      5   0.126968D+00  0.688212D+01 -0.647200D+01  0.304009D+01 -0.917801D+01
      6  -0.727145D+00 -0.108196D+02  0.915787D+01 -0.116491D+01  0.126269D+02
               126           127           128           129           130 
      1  -0.662977D+01  0.344379D+02 -0.130628D+02 -0.108518D+02 -0.720777D+01
      2   0.786949D+01 -0.137813D+02  0.922320D+00  0.446227D+01 -0.348877D+01
      3  -0.123972D+01 -0.206566D+02  0.121405D+02  0.638952D+01  0.106965D+02
      4  -0.762275D+01 -0.334007D+02  0.229867D+02  0.139675D+02  0.222213D+02
      5   0.958467D+01 -0.205968D+02  0.113797D+02  0.142258D+02  0.911050D+01
      6  -0.118248D+02  0.107241D+02 -0.699141D+01 -0.716503D+01 -0.757919D+01
               131           132           133           134           135 
      1   0.424917D+01  0.264013D+01 -0.132517D+02  0.588801D+01  0.625835D+01
      2   0.721399D+01  0.102478D+01  0.627278D+01 -0.136421D+01 -0.403086D+01
      3  -0.114632D+02 -0.366491D+01  0.697895D+01 -0.452380D+01 -0.222749D+01
      4  -0.233881D+02 -0.101898D+02  0.194548D+02 -0.152828D+02 -0.159626D+02
      5  -0.896452D+01 -0.748460D+01  0.196945D+02 -0.134580D+02 -0.189574D+02
      6   0.745700D+01  0.780461D+01 -0.112173D+02  0.113541D+02  0.123610D+02
               136           137           138           139           140 
      1   0.226882D+02  0.864091D+01 -0.458407D+01  0.153208D+02  0.755522D+01
      2  -0.130089D+02 -0.447814D+01  0.311393D+01 -0.755609D+01 -0.282140D+01
      3  -0.967936D+01 -0.416277D+01  0.147014D+01 -0.776468D+01 -0.473383D+01
      4   0.789014D+01  0.735950D+01 -0.404748D+01  0.103473D+02  0.187667D+02
      5  -0.547007D+01 -0.421721D+01  0.757285D+01 -0.593022D+01 -0.875605D+01
      6  -0.130624D+01 -0.750433D+00  0.261746D+00 -0.976665D+00 -0.234217D+01
               141           142           143           144           145 
      1  -0.518212D+01 -0.113712D+02 -0.624803D+01  0.831669D+01  0.644816D+02
      2   0.236611D+01  0.705235D+01  0.494450D+01 -0.705386D+01 -0.371106D+02
      3   0.281601D+01  0.431890D+01  0.130353D+01 -0.126283D+01 -0.273710D+02
      4  -0.769513D+01 -0.708792D+01 -0.111759D+02  0.702055D+01 -0.161112D+02
      5   0.796200D+01  0.130052D+02  0.856575D+01 -0.150624D+02  0.293605D+02
      6   0.232274D+01  0.683966D+00  0.255927D+01 -0.148049D+01 -0.626812D+01
               146           147           148           149           150 
      1  -0.676922D+01  0.207076D+02 -0.841182D+01  0.815418D+01 -0.371848D+01
      2   0.278236D+01 -0.136158D+02  0.285716D+01 -0.345193D+01  0.179206D+01
      3   0.398686D+01 -0.709179D+01  0.555467D+01 -0.470225D+01  0.192641D+01
      4   0.102881D+02 -0.616846D+01  0.154944D+02 -0.713991D+01  0.487850D+01
      5  -0.480934D+01  0.185987D+02 -0.598576D+01  0.450457D+01 -0.329623D+01
      6   0.198184D+01 -0.346843D+01  0.400946D+01 -0.197585D+01  0.372060D+01
               151           152           153           154           155 
      1   0.288025D+02 -0.394690D+01  0.171027D+02  0.638734D+01 -0.413882D+01
      2  -0.205645D+02  0.217493D+01 -0.148074D+02  0.176432D+01  0.124214D+02
      3  -0.823804D+01  0.177198D+01 -0.229531D+01 -0.815166D+01 -0.828257D+01
      4  -0.968911D+01  0.435923D+01 -0.533950D+01  0.249124D+02  0.123943D+02
      5   0.279272D+02 -0.321313D+01  0.220325D+02  0.572311D+01  0.185489D+01
      6  -0.537891D+01  0.320511D+01 -0.471888D+01  0.103104D+02  0.454015D+01
               156           157           158           159           160 
      1   0.175037D+01 -0.354185D+01 -0.525027D+01 -0.120851D+01  0.100548D+01
      2   0.151901D+01  0.831546D+01  0.115191D+02  0.205408D+01  0.150067D+01
      3  -0.326938D+01 -0.477361D+01 -0.626886D+01 -0.845570D+00 -0.250615D+01
      4   0.999446D+01  0.735524D+01  0.101862D+02  0.314924D+01  0.152337D+02
      5   0.489541D+01  0.108521D+01  0.182213D+01  0.989837D+00  0.580573D+01
      6   0.887446D+01  0.257518D+01  0.308800D+01  0.503965D+01  0.108710D+02
               161           162           163           164           165 
      1  -0.256762D+01 -0.234543D+01 -0.428792D+01  0.445123D+00  0.129388D+00
      2   0.648408D+01  0.363995D+01  0.824996D+01  0.608873D+00 -0.213492D+00
      3  -0.391647D+01 -0.129451D+01 -0.396204D+01 -0.105400D+01  0.841048D-01
      4   0.731077D+01  0.101962D+02  0.228558D+01  0.135048D+02 -0.385623D+01
      5   0.273712D+01  0.551284D+01 -0.196852D+00 -0.279033D+01  0.307820D+01
      6   0.100229D+02  0.143625D+02 -0.384135D+01 -0.569670D+00  0.116873D+01
               166           167           168           169           170 
      1  -0.201918D+01 -0.401328D+02  0.147413D+02  0.198481D+01  0.223446D+02
      2   0.453044D+01  0.681931D+02 -0.220118D+02 -0.244513D+01 -0.307990D+02
      3  -0.251126D+01 -0.280603D+02  0.727046D+01  0.460326D+00  0.845437D+01
      4   0.919541D+01  0.672622D+01 -0.255373D+01 -0.328936D+01 -0.348404D+01
      5  -0.107610D+01 -0.805616D+00  0.773964D+00  0.276980D+01  0.150713D+01
      6  -0.206328D+01 -0.309966D+02  0.191541D+02  0.370420D+01  0.283512D+02
               171           172           173           174           175 
      1  -0.152450D+02  0.179120D+02  0.164841D+01  0.650763D+01  0.379435D+01
      2   0.175487D+02 -0.682048D+01 -0.862437D+01 -0.330104D+01 -0.732633D+01
      3  -0.230364D+01 -0.110915D+02  0.697596D+01 -0.320659D+01  0.353199D+01
      4   0.354912D+01 -0.257382D+02  0.113907D+02 -0.898807D+01  0.585031D+01
      5  -0.123454D+01  0.872387D+01 -0.113761D+01  0.722368D+01 -0.713028D-01
      6  -0.223533D+02 -0.940712D+01  0.178393D+01 -0.817065D+01  0.363105D+00
               176           177           178           179           180 
      1   0.861741D+00  0.114109D+01  0.857843D+01  0.514752D+00  0.290278D+01
      2   0.256044D+01 -0.114411D+01 -0.520868D+01 -0.359463D+01 -0.162629D+01
      3  -0.342218D+01  0.301340D-02 -0.336975D+01  0.307988D+01 -0.127649D+01
      4  -0.788182D+01  0.123685D+01 -0.151113D+02  0.477972D+01 -0.102887D+02
      5   0.178547D+01 -0.486600D+00  0.930018D+01 -0.292177D+01  0.884095D+01
      6  -0.141108D+01  0.268524D+01 -0.109159D+02  0.648143D+01 -0.123188D+02
               181           182           183           184           185 
      1  -0.171120D+01  0.584017D+00  0.126828D+01  0.455610D+01 -0.305047D+02
      2   0.811778D+01 -0.750882D+01 -0.319537D+01 -0.128641D+02  0.562437D+02
      3  -0.640658D+01  0.692481D+01  0.192709D+01  0.830801D+01 -0.257390D+02
      4  -0.119647D+02  0.172375D+02  0.599202D+01  0.151343D+02 -0.256838D+02
      5  -0.262215D+01  0.437850D+01  0.456240D+01  0.315186D+01 -0.716342D+01
      6   0.552654D+01 -0.635802D+01 -0.501732D+01 -0.815196D+01  0.277650D+02
               186           187           188           189           190 
      1  -0.112246D+02  0.443326D+01 -0.165278D+02 -0.113842D+02  0.318929D+02
      2   0.182871D+02 -0.697577D+01  0.245039D+02  0.136854D+02 -0.192678D+02
      3  -0.706247D+01  0.254251D+01 -0.797612D+01 -0.230128D+01 -0.126251D+02
      4  -0.101321D+02  0.782760D+01 -0.144432D+02 -0.111633D+02 -0.720015D+00
      5  -0.465128D+01  0.568444D+01 -0.748028D+01 -0.691562D+01 -0.896260D+01
      6   0.177193D+02 -0.964612D+01  0.253427D+02  0.213612D+02 -0.464072D+00
               191           192           193           194           195 
      1  -0.739874D+01 -0.854573D+01 -0.145155D+02  0.938871D+01  0.660111D+01
      2   0.519251D+01  0.615389D+01  0.893727D+01 -0.729588D+01 -0.433459D+01
      3   0.220623D+01  0.239184D+01  0.557826D+01 -0.209283D+01 -0.226652D+01
      4   0.642465D+01  0.255481D+01  0.707454D+01 -0.114903D+02 -0.435395D+01
      5   0.428144D+01  0.916458D+01  0.621277D+01 -0.644023D+01 -0.619533D+01
      6   0.178874D+00  0.147930D+01  0.487045D+00  0.283739D+00  0.668921D+00
               196           197           198           199           200 
      1  -0.161464D+02  0.707112D+01  0.108019D+02  0.472396D+02  0.123869D+02
      2   0.115642D+02 -0.687569D+01 -0.955800D+01 -0.234823D+02 -0.346220D+01
      3   0.458227D+01 -0.195423D+00 -0.124390D+01 -0.237573D+02 -0.892469D+01
      4   0.332265D+01 -0.631715D+01 -0.247484D+01  0.303635D+02  0.168235D+02
      5   0.146805D+02 -0.552918D+01 -0.151560D+02  0.232797D+02  0.924652D+01
      6   0.248430D+01  0.957194D+00 -0.242306D+01  0.107522D+02  0.513273D+01
               201           202           203           204           205 
      1   0.148005D+02  0.111396D+02  0.701436D+01  0.464987D+01  0.197957D+02
      2  -0.835061D+01 -0.728242D+00  0.142648D+01 -0.111305D+01 -0.123416D+02
      3  -0.644985D+01 -0.104113D+02 -0.844085D+01 -0.353682D+01 -0.745413D+01
      4   0.119202D+02  0.215705D+02  0.176126D+02  0.865084D+01  0.183439D+02
      5   0.158591D+02  0.950382D+01  0.729166D+01  0.624249D+01  0.241507D+02
      6   0.660225D+01  0.720718D+01  0.573164D+01  0.619247D+01  0.107861D+02
               206           207           208           209           210 
      1   0.655326D+01  0.123630D+02 -0.731058D+01  0.853780D+01  0.384101D+01
      2  -0.282577D+01 -0.101313D+02  0.799555D+01 -0.111674D+02 -0.550921D+01
      3  -0.372750D+01 -0.223169D+01 -0.684967D+00  0.262962D+01  0.166821D+01
      4   0.102348D+02  0.124283D+02 -0.383799D+01  0.413514D+01  0.112323D+01
      5   0.868889D+01  0.202018D+02  0.583029D+00 -0.157659D+01  0.463941D-01
      6   0.684726D+01  0.101752D+02  0.368488D+01 -0.472077D+01 -0.371939D+01
               211           212           213           214           215 
      1   0.523275D+01 -0.207888D+02 -0.777959D+01  0.594150D+01 -0.134628D+02
      2  -0.436492D+01  0.346441D+02  0.106514D+02 -0.497732D+01  0.178535D+02
      3  -0.867833D+00 -0.138553D+02 -0.287181D+01 -0.964181D+00 -0.439068D+01
      4   0.648716D+01  0.105246D+02  0.116422D+01  0.282113D+01  0.341597D+01
      5  -0.761824D+00  0.356759D+01  0.398811D+01  0.107828D+01  0.622644D+01
      6  -0.290042D+01  0.108770D+02  0.978488D+01 -0.184651D+01  0.145554D+02
               216           217           218           219           220 
      1  -0.946655D+01  0.144999D+02  0.654916D+01 -0.357342D+01  0.138022D+01
      2   0.106972D+02 -0.553301D-01  0.624078D+01 -0.142841D+01  0.999413D+01
      3  -0.123062D+01 -0.144446D+02 -0.127899D+02  0.500184D+01 -0.113743D+02
      4   0.309004D+01  0.287265D+02  0.253868D+02 -0.126641D+02  0.223067D+02
      5   0.630404D+01 -0.123890D+02 -0.103392D+02  0.100789D+02 -0.813007D+01
      6   0.138932D+02 -0.102102D+02 -0.946105D+01  0.770898D+01 -0.963868D+01
               221           222           223           224           225 
      1  -0.673137D+01  0.183127D+01 -0.278433D+01  0.158457D+01 -0.226337D+01
      2   0.245044D+02 -0.692796D+01 -0.244028D+01 -0.734788D+01  0.433439D+01
      3  -0.177731D+02  0.509670D+01  0.522461D+01  0.576331D+01 -0.207102D+01
      4   0.318456D+02 -0.128293D+02 -0.163873D+02 -0.192474D+02  0.160289D+02
      5  -0.113505D+02  0.804637D+01  0.127033D+02  0.134770D+02 -0.149478D+02
      6  -0.146159D+02  0.117842D+02  0.113352D+02  0.175587D+02 -0.165574D+02
               226           227           228           229           230 
      1  -0.541996D+01  0.905276D+01 -0.666535D+01  0.625354D+01 -0.130819D+02
      2   0.479284D+01 -0.880861D+01  0.414669D+01 -0.516880D+01  0.168863D+02
      3   0.627112D+00 -0.244151D+00  0.251866D+01 -0.108475D+01 -0.380441D+01
      4  -0.102707D+02  0.221352D+01 -0.190289D+01  0.681496D+01 -0.460224D+01
      5   0.345231D+01 -0.186397D+01  0.122277D+01 -0.171655D+01  0.200891D+01
      6  -0.420436D+01  0.117116D+02 -0.832542D+01  0.571481D+01 -0.122624D+02
               231           232           233           234           235 
      1   0.730466D+01 -0.287524D+01  0.542376D+01 -0.686481D+01  0.167490D+01
      2  -0.586975D+01  0.166828D+01 -0.234887D+01  0.113171D+01 -0.464365D+01
      3  -0.143491D+01  0.120696D+01 -0.307488D+01  0.573310D+01  0.296875D+01
      4   0.339534D+01 -0.102720D+01  0.416173D+01 -0.326250D+01  0.272747D+01
      5  -0.564427D+00  0.209203D+01 -0.111189D+01  0.321050D+00 -0.600994D+01
      6   0.899882D+01 -0.450657D+01  0.691868D+01 -0.837048D+01 -0.199107D+01
               236           237           238           239           240 
      1   0.370352D+00 -0.523583D+00 -0.985077D-01  0.142217D+00 -0.128326D+01
      2   0.869960D+00  0.668503D+01  0.141848D+01 -0.379847D+01 -0.570459D+01
      3  -0.124031D+01 -0.616145D+01 -0.131997D+01  0.365626D+01  0.698785D+01
      4   0.242535D+01 -0.128984D+01 -0.223151D+01 -0.566675D+01  0.110741D+01
      5  -0.794273D-01  0.875030D+01  0.218244D+01  0.600008D-01 -0.439530D+01
      6   0.125506D+00  0.300234D+01  0.222139D+01  0.275487D+01 -0.717006D+00
               241           242           243           244           245 
      1   0.314217D+00  0.206333D+01 -0.106294D+02  0.970456D+01 -0.383584D+01
      2   0.504702D+01 -0.280776D+01 -0.172464D+02 -0.575564D+01  0.370345D+01
      3  -0.536123D+01  0.744430D+00  0.278758D+02 -0.394892D+01  0.132393D+00
      4  -0.296557D+01 -0.252315D+01  0.165522D+00 -0.782893D+01  0.784200D+01
      5   0.684733D+01  0.331759D+00 -0.153357D+02  0.665888D+01 -0.612978D+01
      6   0.246876D+01  0.422398D+01 -0.127917D+02 -0.314871D+01  0.282807D+01
               246           247           248           249           250 
      1   0.244420D+01 -0.928600D+01  0.171952D+01 -0.319112D+01 -0.660851D+00
      2  -0.315622D+01  0.837696D+01 -0.238753D+01  0.598516D+01 -0.199992D+01
      3   0.712022D+00  0.909042D+00  0.668005D+00 -0.279403D+01  0.266077D+01
      4  -0.498361D+01  0.553805D+01 -0.152756D+02  0.593643D+01 -0.484095D+01
      5   0.617029D+01 -0.117971D+02  0.780975D+01 -0.970280D+01  0.501285D+01
      6  -0.200564D+01  0.451741D+01 -0.661384D+01  0.403986D+01 -0.193320D+01
               251           252           253           254           255 
      1  -0.717481D+00 -0.108334D+01 -0.555371D+01  0.904669D+00  0.320536D+01
      2   0.268094D+01 -0.456354D+01  0.252550D+01  0.335842D+00  0.182455D+01
      3  -0.196345D+01  0.564688D+01  0.302821D+01 -0.124051D+01 -0.502991D+01
      4   0.339705D+01 -0.482871D+01 -0.338425D+01 -0.262864D+00 -0.116349D+01
      5  -0.530862D+01  0.785826D+01 -0.278961D+01 -0.899866D+00 -0.281966D+00
      6   0.378328D+01 -0.255079D+01  0.648453D+00 -0.194494D+00 -0.181481D+01
               256           257           258           259           260 
      1   0.287583D+01 -0.365023D+01 -0.662838D+01  0.289999D+01 -0.402719D+01
      2  -0.162054D+01 -0.347342D-01 -0.120682D+01 -0.353788D+01 -0.130229D+01
      3  -0.125528D+01  0.368496D+01  0.783520D+01  0.637892D+00  0.532948D+01
      4   0.406255D+01  0.358119D+01  0.342196D+01  0.193805D+01  0.336737D+01
      5   0.170836D+01  0.382718D+01  0.556931D+01  0.519998D+01  0.294194D+01
      6   0.139943D+01  0.536497D+01  0.853726D+01  0.799157D+00  0.596408D+01
               261           262           263           264           265 
      1  -0.167133D+02  0.190572D+02  0.354101D+01 -0.636130D+01  0.156296D+01
      2  -0.112056D+02 -0.169451D+02 -0.630183D+01  0.885155D+01 -0.350665D+01
      3   0.279189D+02 -0.211208D+01  0.276082D+01 -0.249026D+01  0.194369D+01
      4   0.181492D+01 -0.114009D+02  0.536882D+01  0.528849D+01  0.149962D+00
      5   0.164233D+02 -0.173933D+02  0.107345D+01  0.108909D+02 -0.431155D+01
      6   0.113750D+02  0.547628D+01 -0.228058D+01 -0.498397D+01  0.648926D+00
               266           267           268           269           270 
      1   0.537312D+01  0.446969D-01 -0.424137D+01  0.780219D+00  0.200422D+01
      2  -0.434633D+01  0.140926D+01  0.753596D+01 -0.129879D+01 -0.774423D+01
      3  -0.102679D+01 -0.145396D+01 -0.329459D+01  0.518570D+00  0.574002D+01
      4   0.136754D+01  0.128815D+01  0.170075D+01  0.704663D+00 -0.178445D+01
      5   0.422397D+00  0.283080D+01  0.805685D+01  0.108241D+01 -0.738583D+01
      6  -0.207405D+01 -0.763974D+00 -0.232549D+01  0.772593D+00  0.384771D+01
               271           272           273           274           275 
      1  -0.504456D+00 -0.583978D+01 -0.782970D+01 -0.145724D+01 -0.292306D+01
      2  -0.411876D+01  0.549086D+01 -0.128792D+01  0.120148D+01  0.733616D+00
      3   0.462322D+01  0.348925D+00  0.911761D+01  0.255760D+00  0.218944D+01
      4   0.420486D+01 -0.208712D+01  0.243355D+01 -0.149952D+00  0.175408D+01
      5   0.168197D+01 -0.104872D+01  0.226378D+01 -0.350684D+00  0.190065D+01
      6   0.176715D+01  0.557687D+01  0.816341D+01  0.249544D+01  0.312104D+01
               276           277           278           279           280 
      1  -0.251199D+01 -0.263544D+01 -0.599362D+01 -0.157794D+02  0.124786D+02
      2   0.696436D+00 -0.615089D+00  0.170353D+01 -0.120924D+02 -0.115498D+02
      3   0.181555D+01  0.325053D+01  0.429009D+01  0.278718D+02 -0.928849D+00
      4   0.140632D+01  0.323453D+01 -0.128079D+01  0.270104D+01  0.173132D+02
      5   0.727746D+00  0.369229D+01 -0.691347D+00 -0.349962D+01 -0.152475D+02
      6   0.587908D+01  0.140001D+01  0.753898D+01  0.197399D+02 -0.873098D+01
               281           282           283           284           285 
      1  -0.368679D+01 -0.249763D+01  0.483666D+00  0.403832D+01 -0.138492D+01
      2   0.639059D+01  0.523985D+01  0.138208D+01 -0.183302D+01  0.607184D+00
      3  -0.270380D+01 -0.274222D+01 -0.186574D+01 -0.220530D+01  0.777736D+00
      4   0.647161D+01 -0.839106D+01  0.322725D+01  0.273687D+01 -0.829891D+00
      5  -0.440410D+01  0.954820D+01 -0.946289D-01 -0.361663D+00  0.220931D-01
      6  -0.531030D+01  0.766289D+01 -0.124682D+01  0.983663D+00  0.632235D+00
               286           287           288           289           290 
      1  -0.233200D+01 -0.156272D+01  0.464662D+00 -0.756523D+00  0.627348D+01
      2   0.536637D+01  0.290541D+01 -0.621617D+01 -0.388973D+01 -0.660369D+01
      3  -0.303437D+01 -0.134270D+01  0.575151D+01  0.464626D+01  0.330206D+00
      4  -0.431032D+01 -0.113549D+01  0.404796D+01 -0.306390D+01  0.803786D+00
      5   0.734479D+01  0.725975D+00 -0.627528D+01  0.226548D+01 -0.548891D+00
      6   0.411900D+01  0.164989D+01 -0.567298D+01 -0.344526D+01  0.526093D+01
               291           292           293           294           295 
      1  -0.630347D+01  0.163643D+01  0.966023D-03  0.138454D+00 -0.244907D+01
      2  -0.291104D+01 -0.199891D+01 -0.228876D+01 -0.667445D+00 -0.180813D+01
      3   0.921451D+01  0.362479D+00  0.228779D+01  0.528991D+00  0.425720D+01
      4  -0.413574D+01  0.337889D+00 -0.203205D+01  0.995956D+00 -0.337754D+01
      5   0.473055D+01 -0.416655D+00  0.239340D+01 -0.101998D+01  0.414272D+01
      6  -0.833461D+01  0.225077D+01 -0.684321D+00  0.361358D+01 -0.233176D+01
               296           297           298           299           300 
      1   0.561337D+01 -0.141791D+02  0.286760D+01  0.185523D+01 -0.305726D+00
      2  -0.237415D+01 -0.137887D+02  0.449465D+00 -0.754808D+00  0.285846D+00
      3  -0.323922D+01  0.279678D+02 -0.331706D+01 -0.110042D+01  0.198798D-01
      4  -0.100854D+00 -0.325768D+01  0.636157D+01  0.664108D+01  0.367741D+01
      5  -0.205873D+00  0.163056D+01  0.188227D+01  0.419209D+01  0.322926D+01
      6   0.703210D+01 -0.199670D+02  0.206650D+01  0.266373D+01  0.177206D+01
               301           302           303           304           305 
      1   0.800808D+01 -0.414236D+01 -0.311597D+00 -0.267646D+01 -0.182672D+01
      2  -0.602625D+01  0.400599D+01 -0.260519D+01  0.568254D+00 -0.746850D+00
      3  -0.198183D+01  0.136364D+00  0.291679D+01  0.210821D+01  0.257357D+01
      4   0.702217D+01  0.183805D+02  0.858769D+01  0.352475D+01  0.486496D+01
      5   0.928990D+01  0.958470D+01  0.951940D+01  0.333605D+01  0.522215D+01
      6   0.571635D+01  0.109028D+02  0.705358D+01  0.182525D+01  0.574784D+01
               306           307           308           309           310 
      1  -0.367389D+01 -0.519339D+01 -0.163223D+01  0.133706D+01 -0.541448D+01
      2  -0.204500D+01  0.265209D+01  0.698626D+00  0.160658D+01  0.455104D+01
      3   0.571889D+01  0.254130D+01  0.933600D+00 -0.294364D+01  0.863446D+00
      4   0.511273D+01  0.165318D+00  0.647315D+00  0.185591D+00  0.341967D+01
      5   0.711198D+01 -0.180872D+01 -0.897246D+00  0.112562D+01 -0.387102D+01
      6   0.448627D+01 -0.181802D+01  0.632167D+00 -0.752462D-01  0.153711D+01
               311           312           313           314           315 
      1  -0.335366D+01  0.504178D+01  0.273327D+01  0.299046D+01 -0.153995D+02
      2  -0.956258D+00  0.376995D+01 -0.475726D+01  0.199147D+01 -0.124579D+02
      3   0.430992D+01 -0.881173D+01  0.202399D+01 -0.498193D+01  0.278574D+02
      4  -0.312708D+01  0.453964D+01 -0.109775D+01  0.349390D+01 -0.293684D+01
      5   0.431282D+01 -0.748085D+01  0.620511D+01 -0.288537D+01  0.187383D+02
      6  -0.381811D+01  0.703945D+01 -0.772349D+00  0.497825D+01 -0.686263D+01
               316           317           318           319           320 
      1  -0.564213D+01 -0.705795D+01 -0.462616D+01 -0.683629D+01 -0.176415D+02
      2   0.563290D+01  0.572323D+01  0.261437D+01  0.467056D+01  0.208059D+02
      3   0.923605D-02  0.133472D+01  0.201179D+01  0.216573D+01 -0.316433D+01
      4   0.548178D+01 -0.859976D-01 -0.811316D+00  0.535305D+01 -0.250470D+01
      5   0.232691D+01 -0.235020D+00 -0.460128D+00  0.108187D+01 -0.113810D+01
      6   0.118667D+01  0.889550D+01  0.580696D+01  0.312427D+01  0.163152D+02
               321           322           323           324           325 
      1  -0.971013D+01 -0.111522D+01 -0.749980D+01 -0.789795D+01  0.233616D+01
      2   0.768493D+01  0.800956D+00  0.423557D+01  0.225886D+01 -0.476983D+01
      3   0.202521D+01  0.314264D+00  0.326423D+01  0.563909D+01  0.243368D+01
      4  -0.413541D+00 -0.652418D+00  0.167249D+01  0.834900D+00 -0.581303D+00
      5  -0.187042D+01  0.980271D+00 -0.420648D+00 -0.174822D+01 -0.525482D+01
      6   0.107178D+02  0.288893D+01  0.791802D+01  0.813107D+01 -0.133113D+00
               326           327           328           329           330 
      1  -0.213356D+00 -0.953370D+00  0.245719D+01 -0.269819D+01  0.816655D+00
      2  -0.691797D+00  0.514819D+01 -0.340444D+01 -0.158555D+01  0.749134D+01
      3   0.905152D+00 -0.419482D+01  0.947244D+00  0.428374D+01 -0.830799D+01
      4   0.641070D+00 -0.547185D+00 -0.320263D+01  0.558297D+01 -0.372264D+00
      5  -0.148830D+01  0.789642D+01 -0.417258D+01 -0.429368D+00  0.658950D+01
      6   0.712212D+00 -0.806272D+00  0.215571D+01 -0.196816D+01  0.311693D+00
               331           332           333 
      1  -0.702074D+00 -0.688237D+00 -0.110075D+02
      2   0.571142D+01  0.274582D+01 -0.169449D+02
      3  -0.500935D+01 -0.205758D+01  0.279523D+02
      4   0.228932D+01 -0.294038D+01  0.146930D+01
      5   0.744123D+01  0.472142D+00 -0.181319D+02
      6  -0.165178D+01  0.373401D+01  0.850932D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 01:54:13 2021, MaxMem= 10737418240 cpu:          218963.1 elap:           13699.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.09010 -15.09009 -15.09008 -15.09007 -15.09006
 Alpha  occ. eigenvalues --  -15.09005 -10.88074 -10.88071 -10.88069 -10.88043
 Alpha  occ. eigenvalues --  -10.88040 -10.88039  -3.84526  -2.60678  -2.60676
 Alpha  occ. eigenvalues --   -2.60188  -1.50897  -1.49674  -1.49673  -1.46819
 Alpha  occ. eigenvalues --   -1.46816  -1.46691  -1.28937  -1.28625  -1.28622
 Alpha  occ. eigenvalues --   -1.16681  -1.16036  -1.16035  -1.08753  -1.08748
 Alpha  occ. eigenvalues --   -1.07181  -1.06590  -1.06588  -1.06034  -1.05661
 Alpha  occ. eigenvalues --   -1.04345  -1.04343  -0.98165  -0.98161  -0.97591
 Alpha  occ. eigenvalues --   -0.97185  -0.96611  -0.96610  -0.94987  -0.93381
 Alpha  occ. eigenvalues --   -0.93381  -0.89231  -0.89230  -0.88016  -0.88014
 Alpha  occ. eigenvalues --   -0.87975  -0.87261  -0.84794  -0.84539  -0.84536
 Alpha  occ. eigenvalues --   -0.83323  -0.83148  -0.83145
 Alpha virt. eigenvalues --   -0.38157  -0.38150  -0.35333  -0.34481  -0.32665
 Alpha virt. eigenvalues --   -0.32662  -0.30930  -0.30929  -0.30471  -0.28656
 Alpha virt. eigenvalues --   -0.28655  -0.27018  -0.27016  -0.26580  -0.26066
 Alpha virt. eigenvalues --   -0.25985  -0.25984  -0.25062  -0.24408  -0.24177
 Alpha virt. eigenvalues --   -0.24175  -0.24169  -0.22329  -0.22329  -0.22059
 Alpha virt. eigenvalues --   -0.21692  -0.21230  -0.21204  -0.21202  -0.20470
 Alpha virt. eigenvalues --   -0.20469  -0.19179  -0.19176  -0.18420  -0.18419
 Alpha virt. eigenvalues --   -0.18181  -0.17995  -0.17762  -0.17758  -0.17192
 Alpha virt. eigenvalues --   -0.16742  -0.16738  -0.16562  -0.16180  -0.16112
 Alpha virt. eigenvalues --   -0.15862  -0.15860  -0.15793  -0.15791  -0.14982
 Alpha virt. eigenvalues --   -0.14982  -0.14135  -0.14133  -0.13705  -0.13393
 Alpha virt. eigenvalues --   -0.13355  -0.13351  -0.12666  -0.12508  -0.12506
 Alpha virt. eigenvalues --   -0.12205  -0.12028  -0.11602  -0.11599  -0.10928
 Alpha virt. eigenvalues --   -0.10587  -0.10586  -0.10547  -0.10542  -0.10271
 Alpha virt. eigenvalues --   -0.09775  -0.09603  -0.09602  -0.09576  -0.09573
 Alpha virt. eigenvalues --   -0.08893  -0.08480  -0.08368  -0.08365  -0.07869
 Alpha virt. eigenvalues --   -0.07404  -0.07402  -0.06903  -0.06899  -0.06355
 Alpha virt. eigenvalues --   -0.05999  -0.05335  -0.05335  -0.05247  -0.05111
 Alpha virt. eigenvalues --   -0.05110  -0.04687  -0.04195  -0.03601  -0.03598
 Alpha virt. eigenvalues --   -0.02381  -0.02376  -0.01907  -0.01903  -0.01406
 Alpha virt. eigenvalues --   -0.01398  -0.00700   0.00242   0.00246   0.00387
 Alpha virt. eigenvalues --    0.00743   0.00749   0.00916   0.01918   0.02545
 Alpha virt. eigenvalues --    0.02551   0.02794   0.04824   0.05169   0.05172
 Alpha virt. eigenvalues --    0.05443   0.05715   0.05722   0.06825   0.06827
 Alpha virt. eigenvalues --    0.07089   0.07438   0.07440   0.07856   0.07860
 Alpha virt. eigenvalues --    0.07980   0.08197   0.09233   0.09238   0.09653
 Alpha virt. eigenvalues --    0.10329   0.10632   0.10637   0.11341   0.11583
 Alpha virt. eigenvalues --    0.11590   0.12104   0.12690   0.13926   0.14177
 Alpha virt. eigenvalues --    0.14181   0.14986   0.14992   0.16384   0.16559
 Alpha virt. eigenvalues --    0.16565   0.16870   0.16880   0.17037   0.17981
 Alpha virt. eigenvalues --    0.18145   0.18153   0.18593   0.19170   0.19173
 Alpha virt. eigenvalues --    0.19428   0.19937   0.19948   0.21148   0.22092
 Alpha virt. eigenvalues --    0.22108   0.22957   0.23150   0.23153   0.23988
 Alpha virt. eigenvalues --    0.23988   0.24824   0.24827   0.25212   0.26908
 Alpha virt. eigenvalues --    0.27211   0.27214   0.27584   0.29275   0.29282
 Alpha virt. eigenvalues --    0.29712   0.29724   0.29747   0.30375   0.30379
 Alpha virt. eigenvalues --    0.31523   0.31529   0.31588   0.31884   0.31888
 Alpha virt. eigenvalues --    0.32891   0.33613   0.33616   0.33627   0.34453
 Alpha virt. eigenvalues --    0.34460   0.35441   0.35910   0.36148   0.36161
 Alpha virt. eigenvalues --    0.36824   0.36877   0.36883   0.38527   0.39031
 Alpha virt. eigenvalues --    0.39169   0.39905   0.39911   0.40131   0.41203
 Alpha virt. eigenvalues --    0.41215   0.41399   0.42245   0.42250   0.43169
 Alpha virt. eigenvalues --    0.43172   0.44103   0.44108   0.44386   0.46024
 Alpha virt. eigenvalues --    0.46033   0.46349   0.47430   0.47446   0.48203
 Alpha virt. eigenvalues --    0.49509   0.49514   0.49929   0.50751   0.50765
 Alpha virt. eigenvalues --    0.50775   0.51921   0.52727   0.52736   0.53515
 Alpha virt. eigenvalues --    0.53801   0.54192   0.54204   0.56153   0.56155
 Alpha virt. eigenvalues --    0.56284   0.57683   0.57689   0.58857   0.58861
 Alpha virt. eigenvalues --    0.59585   0.60604   0.60619   0.60923   0.60968
 Alpha virt. eigenvalues --    0.60983   0.63446   0.63448   0.64963   0.65287
 Alpha virt. eigenvalues --    0.66797   0.66807   0.69104   0.69110   0.70863
 Alpha virt. eigenvalues --    0.71332   0.71917   0.71922   0.73058   0.73895
 Alpha virt. eigenvalues --    0.73903   0.74680   0.76475   0.76480   0.78244
 Alpha virt. eigenvalues --    0.78253   0.80032   0.80550   0.81380   0.81387
 Alpha virt. eigenvalues --    0.83717   0.83987   0.85841   0.85847   0.86316
 Alpha virt. eigenvalues --    0.88774   0.88777   0.90064   0.90071   0.90893
 Alpha virt. eigenvalues --    0.93773   0.93802   0.95420   0.97073   0.97089
 Alpha virt. eigenvalues --    1.00409   1.00423   1.00979   1.01383   1.01645
 Alpha virt. eigenvalues --    1.03459   1.06310   1.06324   1.10308   1.10336
 Alpha virt. eigenvalues --    1.12771   1.12775   1.13967   1.13981   1.16229
 Alpha virt. eigenvalues --    1.16482   1.16995   1.16997   1.20932   1.24171
 Alpha virt. eigenvalues --    1.25817   1.25825   1.26329   1.26347   1.27726
 Alpha virt. eigenvalues --    1.28742   1.28746   1.32490   1.33168   1.33186
 Alpha virt. eigenvalues --    1.34936   1.34949   1.37323   1.37350   1.37483
 Alpha virt. eigenvalues --    1.38965   1.40633   1.40648   1.44197   1.44209
 Alpha virt. eigenvalues --    1.44413   1.45854   1.45871   1.46450   1.46724
 Alpha virt. eigenvalues --    1.47464   1.47465   1.49268   1.49276   1.49457
 Alpha virt. eigenvalues --    1.49964   1.51964   1.51975   1.52538   1.53627
 Alpha virt. eigenvalues --    1.55278   1.55283   1.56083   1.56086   1.57815
 Alpha virt. eigenvalues --    1.58363   1.60839   1.60842   1.61251   1.61822
 Alpha virt. eigenvalues --    1.61833   1.61847   1.62816   1.64012   1.64025
 Alpha virt. eigenvalues --    1.65813   1.65824   1.66334   1.68070   1.68073
 Alpha virt. eigenvalues --    1.69473   1.70471   1.70477   1.71890   1.71899
 Alpha virt. eigenvalues --    1.73324   1.73675   1.76257   1.76263   1.77596
 Alpha virt. eigenvalues --    1.80052   1.80060   1.80068   1.82267   1.82272
 Alpha virt. eigenvalues --    1.82877   1.84113   1.84122   1.84770   1.86449
 Alpha virt. eigenvalues --    1.86508   1.86523   1.88436   1.89010   1.89021
 Alpha virt. eigenvalues --    1.90519   1.90526   1.91768   1.92808   1.94889
 Alpha virt. eigenvalues --    1.96081   1.96083   1.97105   1.97106   1.98708
 Alpha virt. eigenvalues --    2.02578   2.02622   2.03821   2.05982   2.05993
 Alpha virt. eigenvalues --    2.06165   2.07607   2.07611   2.08431   2.08468
 Alpha virt. eigenvalues --    2.09046   2.12077   2.12095   2.13737   2.14760
 Alpha virt. eigenvalues --    2.14781   2.14993   2.19323   2.20558   2.20560
 Alpha virt. eigenvalues --    2.22361   2.22370   2.22879   2.22899   2.24505
 Alpha virt. eigenvalues --    2.25959   2.25960   2.25977   2.27039   2.27339
 Alpha virt. eigenvalues --    2.27991   2.28003   2.28894   2.28900   2.30374
 Alpha virt. eigenvalues --    2.30511   2.30524   2.32906   2.33722   2.33748
 Alpha virt. eigenvalues --    2.34775   2.34904   2.34906   2.35586   2.35822
 Alpha virt. eigenvalues --    2.38053   2.38061   2.39830   2.40583   2.40592
 Alpha virt. eigenvalues --    2.43028   2.43042   2.47535   2.48652   2.48661
 Alpha virt. eigenvalues --    2.53489   2.54030   2.54042   2.54950   2.58979
 Alpha virt. eigenvalues --    2.58989   2.60587   2.65145   2.67509   2.67544
 Alpha virt. eigenvalues --    2.73776   2.73834   2.73860   2.78035   2.78597
 Alpha virt. eigenvalues --    2.78603   2.83426   2.87031   2.87073   2.88281
 Alpha virt. eigenvalues --    2.88304   2.88318   2.89073   2.94983   3.00267
 Alpha virt. eigenvalues --    3.00304   3.05215   3.05597   3.05604   3.10639
 Alpha virt. eigenvalues --    3.10659   3.19632   3.35434   3.35534   3.83275
 Alpha virt. eigenvalues --    5.80823   5.81239  45.26062
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.202142   0.229458   0.089050  -1.220193   1.017964   0.002935
     2  C    0.229458   5.201286   1.020359  -1.229289   0.090593   0.074202
     3  N    0.089050   1.020359   9.111259  -5.760726   0.553356   0.325373
     4  Rh  -1.220193  -1.229289  -5.760726  57.187142  -5.757320  -5.758195
     5  N    1.017964   0.090593   0.553356  -5.757320   9.109126   0.381206
     6  N    0.002935   0.074202   0.325373  -5.758195   0.381206   9.112119
     7  C   -0.050226   0.030976   0.074061  -1.228514   0.026778   1.019947
     8  C    0.035890  -0.050070   0.003042  -1.223011   0.111713   0.090171
     9  N    0.111434   0.026388   0.379134  -5.752390   0.481242   0.552657
    10  N    0.074003   0.003943   0.382079  -5.770241   0.327391   0.484347
    11  C    0.031105  -0.050338   0.025301  -1.224981   0.074157   0.113132
    12  C   -0.050397   0.036855   0.114326  -1.230310   0.004106   0.025656
    13  N    0.025541   0.114128   0.486537  -5.770276   0.384128   0.380014
    14  H    0.019594  -0.006382  -0.028902  -0.039809   0.059382   0.043603
    15  H   -0.005645   0.002898   0.016298   0.520684  -0.027588  -0.062917
    16  H    0.000511   0.001261  -0.013936  -0.043811  -0.021313  -0.010884
    17  H    0.002959  -0.000771   0.002087   0.522968   0.017189  -0.480150
    18  H    0.001226   0.000600  -0.021184  -0.040032  -0.013907   0.059901
    19  H   -0.000765   0.002916   0.017100   0.521044   0.002033  -0.027789
    20  H   -0.006563   0.019979   0.060389  -0.042598  -0.029012  -0.021232
    21  H    0.002968  -0.005771  -0.027927   0.522436   0.016371   0.017160
    22  H   -0.155405  -0.262333  -0.010658  -0.044195   0.044287  -0.013902
    23  H    0.078430  -0.011860  -0.480132   0.522957  -0.063290   0.002076
    24  H   -0.263967  -0.154255   0.042740  -0.037715  -0.013931  -0.028856
    25  H   -0.011024   0.078314  -0.062547   0.519339  -0.477294   0.016292
    26  H    0.015365  -0.011271   0.022389  -0.020100   0.248074  -0.033427
    27  H   -0.148447   0.021270  -0.043223  -0.078990   0.274523   0.030413
    28  H   -0.011084   0.014931   0.247730  -0.019846   0.022290   0.006856
    29  H    0.020812  -0.147942   0.274745  -0.079562  -0.042918  -0.000169
    30  H    0.013206   0.021733  -0.037754  -0.020840  -0.033596   0.000131
    31  H    0.005346   0.007704   0.057710  -0.078512   0.030593   0.035448
    32  H    0.005265  -0.004480   0.000074  -0.020364   0.006845  -0.037992
    33  H   -0.004555   0.015168   0.035296  -0.078700  -0.000145   0.057808
    34  H   -0.004483   0.005270   0.006887  -0.018980   0.000005   0.247106
    35  H    0.015109  -0.004500  -0.000125  -0.080312   0.035773   0.274999
    36  H    0.021369   0.013282  -0.033459  -0.019396  -0.037891   0.022359
    37  H    0.007758   0.005295   0.030540  -0.080063   0.057744  -0.042990
               7          8          9         10         11         12
     1  C   -0.050226   0.035890   0.111434   0.074003   0.031105  -0.050397
     2  C    0.030976  -0.050070   0.026388   0.003943  -0.050338   0.036855
     3  N    0.074061   0.003042   0.379134   0.382079   0.025301   0.114326
     4  Rh  -1.228514  -1.223011  -5.752390  -5.770241  -1.224981  -1.230310
     5  N    0.026778   0.111713   0.481242   0.327391   0.074157   0.004106
     6  N    1.019947   0.090171   0.552657   0.484347   0.113132   0.025656
     7  C    5.200816   0.230531   0.090867   0.113429   0.036536  -0.050305
     8  C    0.230531   5.201069   1.018533   0.026158  -0.050467   0.031080
     9  N    0.090867   1.018533   9.107962   0.383751   0.003582   0.074121
    10  N    0.113429   0.026158   0.383751   9.114328   1.019074   0.090919
    11  C    0.036536  -0.050467   0.003582   1.019074   5.203288   0.228620
    12  C   -0.050305   0.031080   0.074121   0.090919   0.228620   5.203225
    13  N    0.003488   0.073880   0.326132   0.555196   0.089569   1.020797
    14  H   -0.154663  -0.263565  -0.012752  -0.021232   0.000597   0.001223
    15  H    0.078297  -0.010974  -0.478479   0.017056   0.002915  -0.000762
    16  H   -0.262031  -0.155489   0.044147   0.060083   0.019969  -0.006569
    17  H   -0.011800   0.078405  -0.063234  -0.027824  -0.005727   0.002962
    18  H    0.019756  -0.006454  -0.028888  -0.013063  -0.263090  -0.155069
    19  H   -0.005719   0.002935   0.016338  -0.478547  -0.011727   0.078533
    20  H    0.000570   0.001246  -0.013881   0.043843  -0.155646  -0.262612
    21  H    0.002930  -0.000767   0.002049  -0.063150   0.078868  -0.012172
    22  H    0.001279   0.000495  -0.021289  -0.029052  -0.006571   0.019936
    23  H   -0.000773   0.002961   0.017237   0.016383   0.002969  -0.005739
    24  H   -0.006296   0.019434   0.059276  -0.013934   0.001221   0.000604
    25  H    0.002878  -0.005636  -0.027553   0.002029  -0.000766   0.002907
    26  H    0.013205   0.021546  -0.037997   0.006828   0.005272  -0.004495
    27  H    0.005343   0.007750   0.057738  -0.000136  -0.004528   0.015175
    28  H    0.005257  -0.004483   0.000131  -0.033539   0.013262   0.021688
    29  H   -0.004500   0.015072   0.035571   0.030586   0.005331   0.007725
    30  H   -0.004490   0.005262   0.006858   0.022408  -0.011156   0.015209
    31  H    0.015137  -0.004542  -0.000155  -0.043190   0.020975  -0.148117
    32  H    0.021781   0.013116  -0.033435   0.247915   0.015285  -0.011262
    33  H    0.007709   0.005405   0.030514   0.274207  -0.148212   0.021084
    34  H    0.014848  -0.010903   0.022387  -0.037891   0.021456   0.013261
    35  H   -0.148096   0.020828  -0.042863   0.057829   0.007750   0.005329
    36  H   -0.011073   0.015162   0.247657  -0.000035  -0.004502   0.005270
    37  H    0.021223  -0.148524   0.275314   0.035809   0.015158  -0.004506
              13         14         15         16         17         18
     1  C    0.025541   0.019594  -0.005645   0.000511   0.002959   0.001226
     2  C    0.114128  -0.006382   0.002898   0.001261  -0.000771   0.000600
     3  N    0.486537  -0.028902   0.016298  -0.013936   0.002087  -0.021184
     4  Rh  -5.770276  -0.039809   0.520684  -0.043811   0.522968  -0.040032
     5  N    0.384128   0.059382  -0.027588  -0.021313   0.017189  -0.013907
     6  N    0.380014   0.043603  -0.062917  -0.010884  -0.480150   0.059901
     7  C    0.003488  -0.154663   0.078297  -0.262031  -0.011800   0.019756
     8  C    0.073880  -0.263565  -0.010974  -0.155489   0.078405  -0.006454
     9  N    0.326132  -0.012752  -0.478479   0.044147  -0.063234  -0.028888
    10  N    0.555196  -0.021232   0.017056   0.060083  -0.027824  -0.013063
    11  C    0.089569   0.000597   0.002915   0.019969  -0.005727  -0.263090
    12  C    1.020797   0.001223  -0.000762  -0.006569   0.002962  -0.155069
    13  N    9.114397  -0.013947   0.002052  -0.028971   0.016345   0.043221
    14  H   -0.013947   2.506077  -0.595532   0.204762  -0.165522  -0.000191
    15  H    0.002052  -0.595532   1.893790  -0.165632   0.027580   0.000029
    16  H   -0.028971   0.204762  -0.165632   2.506580  -0.595730   0.004286
    17  H    0.016345  -0.165522   0.027580  -0.595730   1.894434  -0.001167
    18  H    0.043221  -0.000191   0.000029   0.004286  -0.001167   2.506124
    19  H   -0.062814  -0.000043   0.000189  -0.001141   0.000057  -0.595414
    20  H   -0.011499   0.000039  -0.000257  -0.000191  -0.000042   0.204841
    21  H   -0.479646  -0.000257   0.000049   0.000019   0.000190  -0.165549
    22  H    0.060294  -0.000190  -0.000045   0.000043  -0.000256  -0.000186
    23  H   -0.027866   0.000029   0.000188  -0.000257   0.000048  -0.000044
    24  H   -0.021168   0.004309  -0.001156  -0.000189   0.000035   0.000041
    25  H    0.017047  -0.001141   0.000057  -0.000046   0.000188  -0.000259
    26  H    0.000018  -0.009948   0.001984  -0.003698  -0.000470  -0.000228
    27  H    0.035455  -0.000440   0.000183  -0.002946   0.003797  -0.000516
    28  H   -0.037735  -0.001413   0.000171  -0.000234  -0.000054  -0.003718
    29  H    0.057737  -0.003598   0.001784  -0.000511  -0.000081  -0.002945
    30  H    0.248549  -0.000235  -0.000056  -0.001413   0.000167  -0.004188
    31  H    0.274129  -0.000509  -0.000087  -0.003595   0.001791  -0.024118
    32  H    0.022345  -0.003723  -0.000471  -0.009942   0.002016  -0.120664
    33  H   -0.043230  -0.002947   0.003804  -0.000465   0.000188   0.059097
    34  H   -0.033615  -0.004208   0.004002  -0.120643   0.019882  -0.009964
    35  H    0.030711  -0.024139   0.003266   0.059041  -0.040553  -0.000449
    36  H    0.006863  -0.120678   0.019960  -0.004211   0.004002  -0.001411
    37  H   -0.000097   0.059147  -0.040813  -0.024108   0.003267  -0.003597
              19         20         21         22         23         24
     1  C   -0.000765  -0.006563   0.002968  -0.155405   0.078430  -0.263967
     2  C    0.002916   0.019979  -0.005771  -0.262333  -0.011860  -0.154255
     3  N    0.017100   0.060389  -0.027927  -0.010658  -0.480132   0.042740
     4  Rh   0.521044  -0.042598   0.522436  -0.044195   0.522957  -0.037715
     5  N    0.002033  -0.029012   0.016371   0.044287  -0.063290  -0.013931
     6  N   -0.027789  -0.021232   0.017160  -0.013902   0.002076  -0.028856
     7  C   -0.005719   0.000570   0.002930   0.001279  -0.000773  -0.006296
     8  C    0.002935   0.001246  -0.000767   0.000495   0.002961   0.019434
     9  N    0.016338  -0.013881   0.002049  -0.021289   0.017237   0.059276
    10  N   -0.478547   0.043843  -0.063150  -0.029052   0.016383  -0.013934
    11  C   -0.011727  -0.155646   0.078868  -0.006571   0.002969   0.001221
    12  C    0.078533  -0.262612  -0.012172   0.019936  -0.005739   0.000604
    13  N   -0.062814  -0.011499  -0.479646   0.060294  -0.027866  -0.021168
    14  H   -0.000043   0.000039  -0.000257  -0.000190   0.000029   0.004309
    15  H    0.000189  -0.000257   0.000049  -0.000045   0.000188  -0.001156
    16  H   -0.001141  -0.000191   0.000019   0.000043  -0.000257  -0.000189
    17  H    0.000057  -0.000042   0.000190  -0.000256   0.000048   0.000035
    18  H   -0.595414   0.204841  -0.165549  -0.000186  -0.000044   0.000041
    19  H    1.894084  -0.165626   0.027576   0.000020   0.000190  -0.000258
    20  H   -0.165626   2.506702  -0.595752   0.004292  -0.001166  -0.000189
    21  H    0.027576  -0.595752   1.894585  -0.001164   0.000058  -0.000045
    22  H    0.000020   0.004292  -0.001164   2.507139  -0.595902   0.204855
    23  H    0.000190  -0.001166   0.000058  -0.595902   1.894616  -0.165523
    24  H   -0.000258  -0.000189  -0.000045   0.204855  -0.165523   2.505533
    25  H    0.000049   0.000023   0.000190  -0.165770   0.027630  -0.595135
    26  H   -0.000058  -0.001406   0.000164  -0.004217   0.004007  -0.120671
    27  H   -0.000088  -0.003613   0.001795  -0.024081   0.003268   0.059169
    28  H   -0.000485  -0.010041   0.002027  -0.120695   0.019822  -0.004197
    29  H    0.003809  -0.000457   0.000182   0.059024  -0.040495  -0.024072
    30  H    0.003994  -0.120645   0.019831  -0.010004   0.002026  -0.003733
    31  H    0.003276   0.059005  -0.040501  -0.000457   0.000185  -0.002941
    32  H    0.019921  -0.004214   0.004009  -0.001410   0.000166  -0.000235
    33  H   -0.040713  -0.024137   0.003272  -0.003606   0.001795  -0.000513
    34  H    0.001992  -0.003701  -0.000484  -0.000236  -0.000054  -0.001417
    35  H    0.000177  -0.002940   0.003803  -0.000511  -0.000084  -0.003592
    36  H    0.000168  -0.000229  -0.000056  -0.003688  -0.000466  -0.009959
    37  H    0.001790  -0.000511  -0.000086  -0.002937   0.003795  -0.000432
              25         26         27         28         29         30
     1  C   -0.011024   0.015365  -0.148447  -0.011084   0.020812   0.013206
     2  C    0.078314  -0.011271   0.021270   0.014931  -0.147942   0.021733
     3  N   -0.062547   0.022389  -0.043223   0.247730   0.274745  -0.037754
     4  Rh   0.519339  -0.020100  -0.078990  -0.019846  -0.079562  -0.020840
     5  N   -0.477294   0.248074   0.274523   0.022290  -0.042918  -0.033596
     6  N    0.016292  -0.033427   0.030413   0.006856  -0.000169   0.000131
     7  C    0.002878   0.013205   0.005343   0.005257  -0.004500  -0.004490
     8  C   -0.005636   0.021546   0.007750  -0.004483   0.015072   0.005262
     9  N   -0.027553  -0.037997   0.057738   0.000131   0.035571   0.006858
    10  N    0.002029   0.006828  -0.000136  -0.033539   0.030586   0.022408
    11  C   -0.000766   0.005272  -0.004528   0.013262   0.005331  -0.011156
    12  C    0.002907  -0.004495   0.015175   0.021688   0.007725   0.015209
    13  N    0.017047   0.000018   0.035455  -0.037735   0.057737   0.248549
    14  H   -0.001141  -0.009948  -0.000440  -0.001413  -0.003598  -0.000235
    15  H    0.000057   0.001984   0.000183   0.000171   0.001784  -0.000056
    16  H   -0.000046  -0.003698  -0.002946  -0.000234  -0.000511  -0.001413
    17  H    0.000188  -0.000470   0.003797  -0.000054  -0.000081   0.000167
    18  H   -0.000259  -0.000228  -0.000516  -0.003718  -0.002945  -0.004188
    19  H    0.000049  -0.000058  -0.000088  -0.000485   0.003809   0.003994
    20  H    0.000023  -0.001406  -0.003613  -0.010041  -0.000457  -0.120645
    21  H    0.000190   0.000164   0.001795   0.002027   0.000182   0.019831
    22  H   -0.165770  -0.004217  -0.024081  -0.120695   0.059024  -0.010004
    23  H    0.027630   0.004007   0.003268   0.019822  -0.040495   0.002026
    24  H   -0.595135  -0.120671   0.059169  -0.004197  -0.024072  -0.003733
    25  H    1.893215   0.019932  -0.040840   0.003990   0.003272  -0.000468
    26  H    0.019932   1.093706  -0.234989  -0.001906   0.003724  -0.000754
    27  H   -0.040840  -0.234989   0.920815   0.003712  -0.002516  -0.002519
    28  H    0.003990  -0.001906   0.003712   1.094280  -0.235127  -0.003104
    29  H    0.003272   0.003724  -0.002516  -0.235127   0.920818   0.000713
    30  H   -0.000468  -0.000754  -0.002519  -0.003104   0.000713   1.094307
    31  H    0.003805   0.002622  -0.003227   0.000709   0.004389  -0.235304
    32  H   -0.000057  -0.000462   0.000574  -0.000754   0.002620  -0.001913
    33  H   -0.000090   0.000576   0.000752  -0.002516  -0.003212   0.003710
    34  H    0.000174  -0.000752   0.002623  -0.000462   0.000584  -0.000757
    35  H    0.001783  -0.002562  -0.003214   0.000579   0.000745   0.002636
    36  H    0.001983  -0.003113   0.000702  -0.000761  -0.002557  -0.000464
    37  H    0.000176   0.000698   0.004399   0.002632  -0.003192   0.000578
              31         32         33         34         35         36
     1  C    0.005346   0.005265  -0.004555  -0.004483   0.015109   0.021369
     2  C    0.007704  -0.004480   0.015168   0.005270  -0.004500   0.013282
     3  N    0.057710   0.000074   0.035296   0.006887  -0.000125  -0.033459
     4  Rh  -0.078512  -0.020364  -0.078700  -0.018980  -0.080312  -0.019396
     5  N    0.030593   0.006845  -0.000145   0.000005   0.035773  -0.037891
     6  N    0.035448  -0.037992   0.057808   0.247106   0.274999   0.022359
     7  C    0.015137   0.021781   0.007709   0.014848  -0.148096  -0.011073
     8  C   -0.004542   0.013116   0.005405  -0.010903   0.020828   0.015162
     9  N   -0.000155  -0.033435   0.030514   0.022387  -0.042863   0.247657
    10  N   -0.043190   0.247915   0.274207  -0.037891   0.057829  -0.000035
    11  C    0.020975   0.015285  -0.148212   0.021456   0.007750  -0.004502
    12  C   -0.148117  -0.011262   0.021084   0.013261   0.005329   0.005270
    13  N    0.274129   0.022345  -0.043230  -0.033615   0.030711   0.006863
    14  H   -0.000509  -0.003723  -0.002947  -0.004208  -0.024139  -0.120678
    15  H   -0.000087  -0.000471   0.003804   0.004002   0.003266   0.019960
    16  H   -0.003595  -0.009942  -0.000465  -0.120643   0.059041  -0.004211
    17  H    0.001791   0.002016   0.000188   0.019882  -0.040553   0.004002
    18  H   -0.024118  -0.120664   0.059097  -0.009964  -0.000449  -0.001411
    19  H    0.003276   0.019921  -0.040713   0.001992   0.000177   0.000168
    20  H    0.059005  -0.004214  -0.024137  -0.003701  -0.002940  -0.000229
    21  H   -0.040501   0.004009   0.003272  -0.000484   0.003803  -0.000056
    22  H   -0.000457  -0.001410  -0.003606  -0.000236  -0.000511  -0.003688
    23  H    0.000185   0.000166   0.001795  -0.000054  -0.000084  -0.000466
    24  H   -0.002941  -0.000235  -0.000513  -0.001417  -0.003592  -0.009959
    25  H    0.003805  -0.000057  -0.000090   0.000174   0.001783   0.001983
    26  H    0.002622  -0.000462   0.000576  -0.000752  -0.002562  -0.003113
    27  H   -0.003227   0.000574   0.000752   0.002623  -0.003214   0.000702
    28  H    0.000709  -0.000754  -0.002516  -0.000462   0.000579  -0.000761
    29  H    0.004389   0.002620  -0.003212   0.000584   0.000745  -0.002557
    30  H   -0.235304  -0.001913   0.003710  -0.000757   0.002636  -0.000464
    31  H    0.921110   0.003723  -0.002516  -0.002537  -0.003205   0.000582
    32  H    0.003723   1.094802  -0.235271  -0.003113   0.000703  -0.000753
    33  H   -0.002516  -0.235271   0.921166   0.000714   0.004398   0.002622
    34  H   -0.002537  -0.003113   0.000714   1.093988  -0.235095  -0.001899
    35  H   -0.003205   0.000703   0.004398  -0.235095   0.920918   0.003717
    36  H    0.000582  -0.000753   0.002622  -0.001899   0.003717   1.093442
    37  H    0.000748  -0.002538  -0.003234   0.003716  -0.002507  -0.235049
              37
     1  C    0.007758
     2  C    0.005295
     3  N    0.030540
     4  Rh  -0.080063
     5  N    0.057744
     6  N   -0.042990
     7  C    0.021223
     8  C   -0.148524
     9  N    0.275314
    10  N    0.035809
    11  C    0.015158
    12  C   -0.004506
    13  N   -0.000097
    14  H    0.059147
    15  H   -0.040813
    16  H   -0.024108
    17  H    0.003267
    18  H   -0.003597
    19  H    0.001790
    20  H   -0.000511
    21  H   -0.000086
    22  H   -0.002937
    23  H    0.003795
    24  H   -0.000432
    25  H    0.000176
    26  H    0.000698
    27  H    0.004399
    28  H    0.002632
    29  H   -0.003192
    30  H    0.000578
    31  H    0.000748
    32  H   -0.002538
    33  H   -0.003234
    34  H    0.003716
    35  H   -0.002507
    36  H   -0.235049
    37  H    0.920787
 Mulliken charges:
               1
     1  C    0.903315
     2  C    0.900449
     3  N    0.142711
     4  Rh  -0.547298
     5  N    0.141336
     6  N    0.142595
     7  C    0.900844
     8  C    0.903201
     9  N    0.141899
    10  N    0.142238
    11  C    0.902317
    12  C    0.901705
    13  N    0.142289
    14  H   -0.422793
    15  H   -0.206819
    16  H   -0.422745
    17  H   -0.207175
    18  H   -0.422827
    19  H   -0.207004
    20  H   -0.422769
    21  H   -0.207205
    22  H   -0.422903
    23  H   -0.207186
    24  H   -0.422836
    25  H   -0.206648
    26  H    0.032414
    27  H    0.144854
    28  H    0.032086
    29  H    0.144610
    30  H    0.032073
    31  H    0.144529
    32  H    0.031892
    33  H    0.144781
    34  H    0.032298
    35  H    0.144654
    36  H    0.032512
    37  H    0.144607
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.273831
     2  C    0.270360
     3  N    0.319407
     4  Rh  -0.547298
     5  N    0.318604
     6  N    0.319547
     7  C    0.270924
     8  C    0.273589
     9  N    0.319018
    10  N    0.318911
    11  C    0.272485
    12  C    0.271731
    13  N    0.318891
 Electronic spatial extent (au):  <R**2>=           2782.2233
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0004    Y=              0.0009    Z=             -0.0002  Tot=              0.0010
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -29.7873   YY=            -29.8274   ZZ=            -54.1387
   XY=             -0.0016   XZ=             -0.0032   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.1305   YY=              8.0904   ZZ=            -16.2209
   XY=             -0.0016   XZ=             -0.0032   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             13.9865  YYY=             34.4721  ZZZ=             -0.0020  XYY=            -13.9839
  XXY=            -34.5104  XXZ=             -0.0084  XZZ=              0.0191  YZZ=             -0.0190
  YYZ=              0.0017  XYZ=             -0.0016
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1000.9422 YYYY=          -1000.0740 ZZZZ=           -327.0127 XXXY=             -0.0075
 XXXZ=             33.3419 YYYX=              0.0119 YYYZ=            -13.5247 ZZZX=              0.0104
 ZZZY=              0.0372 XXYY=           -333.5099 XXZZ=           -226.1956 YYZZ=           -226.0814
 XXYZ=             13.5244 YYXZ=            -33.3692 ZZXY=             -0.0176
 N-N= 1.198535526615D+03 E-N=-3.904089603039D+03  KE= 6.066338336209D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 01:54:14 2021, MaxMem= 10737418240 cpu:              13.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.57041775D-04 2.84772257D-04-7.33539917D-05
 Polarizability= 1.50650499D+02-2.45177805D-03 1.50603333D+02
                 1.66914436D-04 3.06928015D-03 1.17003112D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0203   -0.0123       -0.0152   -0.0103
 2      0.0203    0.0123       -0.0118   -0.0086       -0.0225   -0.0311
 3      0.0152    0.0103       16.9536   16.9811        0.0121    0.0086
 4      0.0118    0.0086       -0.0000    0.0000        0.0103    0.0103
 5    -16.9312  -16.9500       -0.0103   -0.0103       -0.0195   -0.0123
 6     -0.0121   -0.0086        0.0195    0.0123       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0368    0.0368       -0.0309   -0.0309
 2      0.0258    0.0258        0.0000    0.0000       -0.0309   -0.0309
 3      0.0258    0.0258        0.0368    0.0368        0.0000    0.0000
 4      0.0368    0.0368       -0.0258   -0.0258       -0.0933   -0.0933
 5      0.0309    0.0309       50.9434   50.9434        0.0258    0.0258
 6    -50.8501  -50.8501       -0.0309   -0.0309       -0.0368   -0.0368
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2117    0.0000       -0.0222    0.0491        0.0502    0.0412
 2      0.3253   -0.0491       -0.0177    0.0345        0.1666    0.1244
 3      0.0673   -0.0412      -68.3543  -67.9246       -0.4295   -0.0345
 4      0.0026   -0.0345       -0.2444    0.0000       -0.3356   -0.0412
 5     67.9660   67.8001        0.4425    0.0412        0.0394    0.0491
 6      0.1417    0.0345        0.0050   -0.0491       -0.1845    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.9910    0.0000       -0.4317    0.1839       -0.7678    0.1428
 2     -0.3088   -0.1839        0.0692   -0.1575        0.2937    0.2472
 3     -0.6061   -0.1428      -26.4398  -26.9543        0.6096    0.1575
 4     -0.3759    0.1575        1.0188    0.0000        0.7950   -0.1428
 5     26.1727   26.7071        0.9769    0.1428        0.2189    0.1839
 6     -0.4050   -0.1575       -0.4596   -0.1839        0.0370    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -31.9458  -31.8796       78.3160   78.2545        0.7865   -0.1872
 2    -32.0339  -31.7650       78.5780   78.4226        0.5968   -0.1872
 3    -32.1759  -31.7650       78.6048   78.2545        0.9254   -0.2660
 4     -0.3015   -0.1681       -0.2243   -0.1147       -0.5739    0.0823
 5      0.9615   -0.0788      -30.9698  -31.2693        0.1167    0.1147
 6     29.9585   31.1871        0.3642    0.0788       -0.4847    0.1681
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006   -0.0004    0.0003    5.9684   15.3289   17.0278
 Low frequencies ---   83.5307   85.6235  116.1719
 Diagonal vibrational polarizability:
       15.3975984      15.2519679      11.2169964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     83.4767                85.5903               116.1570
 Red. masses --      3.0249                 3.0350                 2.8829
 Frc consts  --      0.0124                 0.0131                 0.0229
 IR Inten    --      0.0222                 0.0168                 0.5762
 RamAct Fr= 1--      0.8877                 0.8894                 0.0036
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7319
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8452
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1268                 0.1270                 0.0005
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0404                -0.0483                 0.0065
 Delta2 Fr= 1--     -0.0539                -0.0616                 0.0002
 Raman1 Fr= 1--       3.551                  3.557                  0.014
 ROA1   Fr= 1--      -5.605                 -6.604                  0.626
 CID1   Fr= 1--      -1.579                 -1.856                 43.889
 Raman2 Fr= 1--       1.522                  1.525                  0.006
 ROA2   Fr= 1--      -0.538                 -0.666                  0.154
 CID2   Fr= 1--      -0.354                 -0.437                 25.522
 Raman3 Fr= 1--       3.043                  3.049                  0.012
 ROA3   Fr= 1--      -5.605                 -6.604                  0.626
 CID3   Fr= 1--      -1.842                 -2.166                 51.929
 RC180  Fr= 1--       0.714                  0.714                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07  -0.01     0.18  -0.09  -0.06     0.04  -0.03  -0.10
     2   6     0.00  -0.12  -0.04     0.07  -0.16  -0.05     0.02  -0.04  -0.11
     3   7    -0.03  -0.06  -0.01    -0.02   0.00   0.03     0.02   0.08   0.02
     4  45    -0.04  -0.01  -0.00    -0.01   0.04   0.00    -0.00  -0.00   0.07
     5   7    -0.03   0.01   0.03     0.05   0.02   0.01    -0.08   0.01   0.02
     6   7    -0.04   0.05  -0.01     0.02   0.01  -0.03     0.04  -0.07   0.02
     7   6    -0.03   0.14  -0.05    -0.03  -0.16   0.04     0.01   0.05  -0.11
     8   6     0.04   0.09  -0.02    -0.14  -0.12   0.06     0.03   0.04  -0.11
     9   7    -0.02  -0.02   0.03    -0.06   0.01  -0.00    -0.08  -0.03   0.03
    10   7     0.00  -0.04  -0.02    -0.04   0.04  -0.02     0.06  -0.05   0.03
    11   6     0.21  -0.05   0.06    -0.00   0.04  -0.02    -0.04   0.01  -0.10
    12   6     0.19   0.09   0.06     0.01   0.05   0.02    -0.04  -0.02  -0.10
    13   7    -0.01   0.03  -0.02     0.02   0.05   0.02     0.04   0.06   0.02
    14   1     0.13   0.08   0.01    -0.27  -0.07   0.07     0.15  -0.00  -0.10
    15   1     0.05   0.14  -0.04    -0.16  -0.23   0.11    -0.01   0.11  -0.19
    16   1    -0.11   0.16  -0.06     0.09  -0.23   0.02    -0.12   0.10  -0.12
    17   1     0.02   0.20  -0.08    -0.08  -0.23   0.08     0.09   0.09  -0.20
    18   1     0.24  -0.21   0.06     0.02   0.04  -0.04    -0.07   0.13  -0.09
    19   1     0.32  -0.00   0.12    -0.02   0.04  -0.02    -0.09  -0.06  -0.18
    20   1     0.18   0.26   0.06    -0.01   0.06   0.04    -0.03  -0.14  -0.11
    21   1     0.31   0.08   0.12     0.04   0.05   0.03    -0.11   0.03  -0.19
    22   1    -0.06  -0.15  -0.06    -0.03  -0.27  -0.03    -0.08  -0.13  -0.11
    23   1     0.05  -0.17  -0.07     0.15  -0.22  -0.10     0.10  -0.06  -0.20
    24   1     0.11  -0.05   0.02     0.29  -0.01  -0.07     0.14   0.04  -0.10
    25   1     0.05  -0.10  -0.03     0.22  -0.20  -0.12     0.02  -0.11  -0.19
    26   1    -0.02   0.05   0.10     0.09   0.09   0.09    -0.10   0.03   0.12
    27   1    -0.10   0.03  -0.01    -0.06   0.02  -0.04    -0.20   0.02  -0.03
    28   1    -0.06  -0.07   0.01    -0.10  -0.01   0.13    -0.00   0.09   0.11
    29   1    -0.00  -0.02  -0.02    -0.00   0.12  -0.03     0.05   0.19  -0.03
    30   1    -0.06   0.11  -0.13     0.03   0.05   0.04     0.07   0.06   0.11
    31   1    -0.08  -0.08   0.04     0.04   0.05   0.01     0.10   0.16  -0.03
    32   1    -0.03  -0.13  -0.13    -0.04   0.03  -0.05     0.09  -0.04   0.12
    33   1    -0.09   0.05   0.04    -0.06   0.04  -0.01     0.15  -0.13  -0.03
    34   1    -0.09   0.05   0.03     0.09   0.02  -0.13     0.02  -0.09   0.11
    35   1    -0.01   0.00  -0.03    -0.03   0.12   0.03     0.10  -0.17  -0.03
    36   1     0.01  -0.06   0.10    -0.11   0.06  -0.08    -0.09  -0.06   0.13
    37   1    -0.09  -0.05  -0.01     0.04   0.02   0.04    -0.19  -0.07  -0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    143.1030               143.8430               163.2946
 Red. masses --      2.8937                 2.8933                 2.7492
 Frc consts  --      0.0349                 0.0353                 0.0432
 IR Inten    --      0.3026                 0.3197                 0.0117
 RamAct Fr= 1--      0.1858                 0.1799                 1.8406
  Dep-P Fr= 1--      0.7482                 0.7494                 0.7341
  Dep-U Fr= 1--      0.8560                 0.8568                 0.8466
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.0265                 0.0257                 0.2597
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0125
 Gamma2 Fr= 1--      1.2536                 1.2666                -3.9109
 Delta2 Fr= 1--      0.1553                 0.1479                -0.9788
 Raman1 Fr= 1--       0.743                  0.719                  7.362
 ROA1   Fr= 1--     125.312                126.330               -406.773
 CID1   Fr= 1--     168.602                175.601                -55.250
 Raman2 Fr= 1--       0.318                  0.308                  3.117
 ROA2   Fr= 1--      28.844                 29.216                -86.032
 CID2   Fr= 1--      90.677                 94.801                -27.603
 Raman3 Fr= 1--       0.636                  0.616                  6.233
 ROA3   Fr= 1--     125.312                126.330               -406.773
 CID3   Fr= 1--     196.976                204.959                -65.257
 RC180  Fr= 1--       0.712                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.12    -0.05   0.03  -0.07     0.02  -0.04  -0.08
     2   6     0.03  -0.04  -0.08    -0.00   0.05  -0.10    -0.03   0.03   0.09
     3   7     0.08  -0.09  -0.08     0.04   0.03  -0.05    -0.07   0.07   0.08
     4  45     0.01   0.01  -0.00     0.01  -0.01  -0.00    -0.00  -0.00  -0.00
     5   7    -0.05   0.11   0.09    -0.06  -0.00  -0.02     0.05  -0.09  -0.08
     6   7     0.06   0.02  -0.07     0.05   0.11  -0.07     0.04   0.09  -0.08
     7   6     0.01  -0.03  -0.12     0.02   0.06  -0.06     0.02   0.04  -0.08
     8   6    -0.04  -0.05  -0.03    -0.00  -0.03   0.13    -0.01  -0.04   0.09
     9   7    -0.06  -0.05   0.00    -0.01  -0.12   0.09    -0.03  -0.09   0.08
    10   7     0.06   0.06   0.08    -0.11  -0.00  -0.05     0.10   0.02   0.08
    11   6    -0.00   0.02   0.14    -0.07   0.00  -0.03     0.04   0.01   0.08
    12   6    -0.07  -0.02   0.01     0.02  -0.01   0.14    -0.04  -0.00  -0.08
    13   7    -0.09  -0.04  -0.03     0.09  -0.04   0.09    -0.09  -0.00  -0.07
    14   1    -0.04  -0.01   0.02    -0.00   0.08   0.25    -0.00   0.05   0.19
    15   1    -0.08  -0.10  -0.04    -0.02  -0.14   0.18    -0.04  -0.13   0.11
    16   1    -0.03  -0.06  -0.17    -0.05  -0.02  -0.18    -0.04  -0.03  -0.18
    17   1     0.05  -0.00  -0.16     0.07   0.17  -0.09     0.06   0.13  -0.10
    18   1    -0.07  -0.03   0.22     0.01   0.04  -0.13    -0.04  -0.02   0.17
    19   1     0.06   0.06   0.19    -0.18  -0.01  -0.04     0.13   0.03   0.10
    20   1     0.00  -0.03  -0.07    -0.08   0.02   0.24     0.05  -0.02  -0.17
    21   1    -0.15  -0.05   0.01     0.11  -0.03   0.19    -0.13  -0.01  -0.10
    22   1    -0.06   0.02  -0.21    -0.03   0.05  -0.12     0.05  -0.02   0.19
    23   1     0.12  -0.13  -0.12     0.02   0.06  -0.13    -0.10   0.11   0.12
    24   1     0.00  -0.07   0.24    -0.04   0.02  -0.06    -0.02   0.05  -0.19
    25   1    -0.08   0.15   0.16    -0.09   0.04  -0.09     0.08  -0.12  -0.11
    26   1    -0.07   0.13   0.20    -0.09  -0.02   0.00     0.08  -0.10  -0.18
    27   1    -0.08   0.22   0.03    -0.08   0.00  -0.04     0.09  -0.17  -0.03
    28   1     0.09  -0.12  -0.19     0.08   0.04  -0.06    -0.07   0.10   0.16
    29   1     0.17  -0.16  -0.02     0.07   0.03  -0.04    -0.14   0.12   0.03
    30   1    -0.10  -0.08  -0.11     0.12  -0.05   0.17    -0.11  -0.02  -0.15
    31   1    -0.16  -0.05   0.01     0.18  -0.07   0.05    -0.17   0.01  -0.03
    32   1     0.08   0.09   0.15    -0.14   0.03  -0.15     0.12   0.01   0.17
    33   1     0.12   0.11   0.05    -0.20  -0.03   0.00     0.18   0.05   0.03
    34   1     0.09   0.02  -0.11     0.04   0.15  -0.17     0.03   0.12  -0.16
    35   1     0.11   0.04  -0.05     0.11   0.19  -0.01     0.09   0.16  -0.03
    36   1    -0.09  -0.04   0.06    -0.02  -0.15   0.20    -0.05  -0.11   0.17
    37   1    -0.08  -0.09  -0.02    -0.01  -0.22   0.04    -0.04  -0.18   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.4513               215.0331               220.8686
 Red. masses --      2.7314                 2.7458                 2.9941
 Frc consts  --      0.0740                 0.0748                 0.0861
 IR Inten    --      7.0843                 6.8916                11.2730
 RamAct Fr= 1--      2.4298                 2.4988                 0.0600
  Dep-P Fr= 1--      0.7500                 0.7486                 0.7288
  Dep-U Fr= 1--      0.8571                 0.8562                 0.8431
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3471                 0.3566                 0.0084
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.4766                -1.5655                -0.0349
 Delta2 Fr= 1--     -0.0575                -0.0506                -0.0011
 Raman1 Fr= 1--       9.719                  9.995                  0.240
 ROA1   Fr= 1--    -143.592               -151.905                 -3.390
 CID1   Fr= 1--     -14.774                -15.197                -14.122
 Raman2 Fr= 1--       4.165                  4.279                  0.101
 ROA2   Fr= 1--     -34.979                -37.167                 -0.830
 CID2   Fr= 1--      -8.397                 -8.686                 -8.203
 Raman3 Fr= 1--       8.331                  8.558                  0.202
 ROA3   Fr= 1--    -143.592               -151.905                 -3.390
 CID3   Fr= 1--     -17.236                -17.750                -16.750
 RC180  Fr= 1--       0.714                  0.712                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.05   0.02     0.00   0.04  -0.03    -0.07  -0.02  -0.03
     2   6    -0.07  -0.07  -0.01    -0.05   0.00  -0.02     0.03   0.05  -0.04
     3   7    -0.05  -0.06   0.01    -0.07   0.12   0.08     0.12  -0.07  -0.04
     4  45    -0.01  -0.01  -0.01     0.01  -0.01   0.01    -0.00   0.00   0.06
     5   7    -0.07  -0.01  -0.01    -0.11   0.09   0.07     0.02  -0.13  -0.04
     6   7    -0.01   0.14  -0.06     0.08   0.05  -0.06     0.09   0.08  -0.03
     7   6    -0.01   0.03   0.02     0.10  -0.04   0.02     0.03  -0.04  -0.04
     8   6    -0.06   0.04   0.03     0.06  -0.01  -0.00    -0.08   0.00  -0.03
     9   7     0.03   0.10  -0.07     0.10   0.07  -0.03    -0.03   0.12  -0.04
    10   7     0.15  -0.02   0.07    -0.05  -0.07  -0.05    -0.07  -0.07  -0.01
    11   6     0.02  -0.00  -0.01     0.01  -0.10   0.02     0.03  -0.04  -0.04
    12   6     0.03  -0.08  -0.02    -0.01  -0.06  -0.01     0.02   0.06  -0.04
    13   7     0.13  -0.01   0.08    -0.09  -0.08  -0.03    -0.09   0.06  -0.02
    14   1    -0.17   0.10   0.04    -0.02   0.01  -0.02    -0.16   0.03  -0.03
    15   1    -0.04  -0.04   0.11     0.05  -0.04   0.01    -0.11  -0.07  -0.03
    16   1     0.08  -0.02   0.01     0.20  -0.07   0.03     0.10  -0.08  -0.05
    17   1    -0.06  -0.00   0.06     0.04  -0.08   0.08     0.01  -0.11  -0.04
    18   1    -0.01   0.13  -0.01     0.01  -0.19   0.04     0.05  -0.09  -0.04
    19   1    -0.05  -0.04  -0.07     0.07  -0.06   0.08     0.10  -0.05  -0.05
    20   1     0.04  -0.22  -0.02     0.01  -0.00  -0.03     0.02   0.11  -0.05
    21   1    -0.06  -0.04  -0.09     0.01  -0.06  -0.00     0.08   0.08  -0.05
    22   1    -0.10  -0.07  -0.03    -0.15  -0.09  -0.02     0.09   0.11  -0.04
    23   1    -0.04  -0.08  -0.04     0.04  -0.03  -0.10    -0.02   0.11  -0.03
    24   1    -0.07  -0.07   0.04     0.11   0.12  -0.03    -0.15  -0.08  -0.03
    25   1    -0.07  -0.02   0.05     0.01  -0.05  -0.10    -0.12   0.04  -0.02
    26   1    -0.07  -0.00   0.02    -0.15   0.11   0.24     0.02  -0.18  -0.19
    27   1    -0.07   0.01  -0.02    -0.23   0.18  -0.01     0.10  -0.23   0.03
    28   1    -0.05  -0.06   0.00    -0.07   0.17   0.25     0.16  -0.09  -0.19
    29   1    -0.04  -0.06   0.01    -0.12   0.27  -0.01     0.19  -0.18   0.04
    30   1     0.18   0.02   0.25    -0.12  -0.09  -0.15    -0.12   0.08  -0.12
    31   1     0.27   0.06  -0.01    -0.19  -0.10   0.03    -0.18   0.05   0.03
    32   1     0.20  -0.04   0.25    -0.07  -0.06  -0.13    -0.10  -0.10  -0.11
    33   1     0.32  -0.04  -0.03    -0.13  -0.04  -0.00    -0.16  -0.09   0.04
    34   1    -0.01   0.19  -0.21     0.08   0.07  -0.15     0.13   0.11  -0.17
    35   1     0.01   0.27   0.02     0.08   0.14  -0.01     0.14   0.20   0.04
    36   1     0.06   0.12  -0.20     0.12   0.10  -0.15    -0.03   0.17  -0.16
    37   1     0.11   0.19   0.00     0.15   0.17   0.03     0.02   0.23   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    245.4806               301.0760               301.6480
 Red. masses --      4.3796                 1.9132                 1.9065
 Frc consts  --      0.1555                 0.1022                 0.1022
 IR Inten    --      0.0019                 1.2390                 1.2487
 RamAct Fr= 1--     15.9592                 0.3941                 0.4065
  Dep-P Fr= 1--      0.0947                 0.7479                 0.7426
  Dep-U Fr= 1--      0.1730                 0.8558                 0.8523
 Alpha2 Fr= 1--      0.2830                 0.0000                 0.0001
 Beta2  Fr= 1--      0.4603                 0.0562                 0.0577
 AlphaG Fr= 1--      0.1968                 0.0000                 0.0002
 Gamma2 Fr= 1--      6.9372                -0.9073                -0.8560
 Delta2 Fr= 1--      0.3568                -0.0291                -0.0319
 Raman1 Fr= 1--      63.837                  1.576                  1.626
 ROA1   Fr= 1--     677.384                -88.033                -83.197
 CID1   Fr= 1--      10.611                -55.843                -51.165
 Raman2 Fr= 1--       5.523                  0.675                  0.693
 ROA2   Fr= 1--     163.637                -21.543                -20.289
 CID2   Fr= 1--      29.626                -31.937                -29.279
 Raman3 Fr= 1--      11.047                  1.349                  1.386
 ROA3   Fr= 1--     677.384                -88.033                -83.197
 CID3   Fr= 1--      61.319                -65.255                -60.030
 RC180  Fr= 1--      -0.654                  0.712                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.10   0.02     0.09   0.02  -0.08     0.01   0.01  -0.02
     2   6    -0.13  -0.12  -0.02     0.04   0.08   0.08    -0.00   0.01  -0.01
     3   7    -0.08  -0.08   0.05     0.03  -0.05  -0.05    -0.00  -0.02  -0.03
     4  45    -0.00   0.00  -0.00    -0.03  -0.02  -0.00    -0.02   0.03  -0.00
     5   7    -0.10  -0.06  -0.05    -0.04   0.04   0.06     0.02   0.00  -0.02
     6   7     0.10  -0.06  -0.05    -0.00   0.04  -0.05     0.01   0.04  -0.04
     7   6     0.16  -0.08   0.02     0.02  -0.03   0.02     0.06  -0.06   0.08
     8   6     0.17  -0.05  -0.02     0.04  -0.00  -0.04     0.08   0.01  -0.07
     9   7     0.11  -0.03   0.05     0.00  -0.01  -0.00    -0.04  -0.05   0.06
    10   7    -0.03   0.12   0.05     0.04  -0.01   0.05    -0.03  -0.01  -0.03
    11   6    -0.04   0.17  -0.02    -0.03   0.04  -0.04     0.04  -0.06   0.07
    12   6    -0.01   0.18   0.02     0.01   0.05   0.06    -0.02  -0.07  -0.06
    13   7     0.00   0.12  -0.05    -0.02   0.00  -0.01     0.05   0.02   0.06
    14   1     0.22  -0.11  -0.06     0.08  -0.06  -0.09     0.22  -0.14  -0.17
    15   1     0.14   0.01  -0.10     0.04   0.07  -0.09     0.07   0.19  -0.20
    16   1     0.23  -0.08   0.06     0.13  -0.04   0.06     0.25  -0.05   0.18
    17   1     0.09  -0.11   0.10    -0.05  -0.08   0.09    -0.07  -0.18   0.20
    18   1    -0.02   0.25  -0.06    -0.00   0.18  -0.10    -0.02  -0.21   0.16
    19   1    -0.08   0.12  -0.10    -0.13  -0.03  -0.13     0.16   0.01   0.17
    20   1    -0.05   0.24   0.06    -0.05   0.14   0.12     0.06  -0.22  -0.14
    21   1     0.05   0.13   0.10     0.12   0.03   0.13    -0.17  -0.02  -0.17
    22   1    -0.20  -0.13  -0.06     0.25   0.13   0.19     0.03   0.03  -0.00
    23   1    -0.06  -0.13  -0.09    -0.13   0.17   0.21    -0.02   0.01   0.02
    24   1    -0.18  -0.16   0.06     0.19   0.20  -0.19    -0.00   0.01  -0.03
    25   1    -0.14  -0.03   0.09     0.13  -0.17  -0.21     0.02   0.00  -0.02
    26   1    -0.10  -0.06  -0.05    -0.06   0.07   0.21     0.04   0.01  -0.07
    27   1    -0.07  -0.03  -0.05    -0.19   0.09  -0.02     0.03  -0.04   0.00
    28   1    -0.09  -0.09   0.04     0.06  -0.07  -0.19    -0.01  -0.05  -0.10
    29   1    -0.05  -0.06   0.05     0.03  -0.19   0.02     0.04  -0.08   0.00
    30   1     0.00   0.13  -0.04    -0.04   0.02  -0.05     0.09   0.03   0.21
    31   1     0.02   0.08  -0.05    -0.05  -0.06   0.01     0.17   0.10  -0.02
    32   1    -0.03   0.12   0.05     0.08  -0.02   0.19    -0.06  -0.03  -0.11
    33   1    -0.03   0.07   0.05     0.17  -0.04  -0.02    -0.11   0.06   0.02
    34   1     0.11  -0.06  -0.04    -0.01   0.07  -0.16     0.04   0.07  -0.15
    35   1     0.06  -0.05  -0.05     0.01   0.14   0.01    -0.03   0.16   0.02
    36   1     0.12  -0.04   0.05     0.02  -0.03   0.01    -0.06  -0.09   0.22
    37   1     0.07  -0.02   0.05    -0.03  -0.00  -0.01    -0.17  -0.15  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.9809               327.5257               328.2693
 Red. masses --      1.7103                 3.6671                 3.6244
 Frc consts  --      0.0943                 0.2318                 0.2301
 IR Inten    --      0.0089                 9.2256                 9.2272
 RamAct Fr= 1--      2.1289                 2.9609                 2.9887
  Dep-P Fr= 1--      0.0334                 0.7495                 0.7493
  Dep-U Fr= 1--      0.0647                 0.8568                 0.8567
 Alpha2 Fr= 1--      0.0437                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0230                 0.4228                 0.4267
 AlphaG Fr= 1--      0.1683                -0.0000                 0.0001
 Gamma2 Fr= 1--      1.1589                -1.2196                -1.2507
 Delta2 Fr= 1--     -0.1903                 0.0237                 0.0087
 Raman1 Fr= 1--       8.516                 11.844                 11.955
 ROA1   Fr= 1--     105.160               -116.320               -119.793
 CID1   Fr= 1--      12.349                 -9.821                -10.021
 Raman2 Fr= 1--       0.275                  5.074                  5.121
 ROA2   Fr= 1--      29.336                -29.459                -30.087
 CID2   Fr= 1--     106.501                 -5.806                 -5.875
 Raman3 Fr= 1--       0.551                 10.148                 10.241
 ROA3   Fr= 1--     105.160               -116.320               -119.793
 CID3   Fr= 1--     190.889                -11.463                -11.697
 RC180  Fr= 1--      -0.871                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.06    -0.05  -0.06  -0.04    -0.05  -0.07  -0.06
     2   6     0.01  -0.02  -0.06    -0.04  -0.01   0.04    -0.10  -0.04   0.07
     3   7     0.00   0.07   0.02     0.01  -0.03   0.07    -0.06  -0.13  -0.00
     4  45     0.00   0.00   0.00     0.10  -0.04  -0.00     0.03   0.10   0.00
     5   7     0.07  -0.02  -0.02    -0.11  -0.03   0.03    -0.08   0.00  -0.06
     6   7    -0.02   0.06  -0.02    -0.07   0.10   0.04     0.06  -0.04   0.06
     7   6    -0.01  -0.02   0.06    -0.11   0.01   0.07     0.03  -0.01  -0.01
     8   6     0.01   0.03  -0.06    -0.09   0.07  -0.07    -0.02   0.01   0.00
     9   7    -0.06  -0.03   0.02    -0.13  -0.01  -0.03    -0.05   0.02   0.06
    10   7     0.06  -0.04   0.02    -0.05   0.10  -0.03     0.06  -0.06  -0.06
    11   6    -0.03  -0.00  -0.06     0.01   0.07   0.04    -0.01  -0.09  -0.06
    12   6     0.03   0.01   0.06    -0.02   0.03  -0.03     0.04  -0.10   0.07
    13   7    -0.05  -0.05  -0.02     0.02   0.00  -0.07    -0.04  -0.13   0.01
    14   1     0.11  -0.08  -0.14    -0.02  -0.03  -0.16     0.01   0.01   0.02
    15   1     0.02   0.16  -0.14    -0.05   0.20  -0.11    -0.05  -0.01  -0.03
    16   1     0.13  -0.02   0.14     0.01   0.04   0.16    -0.01   0.01  -0.01
    17   1    -0.10  -0.13   0.14    -0.17  -0.11   0.11     0.06  -0.02  -0.05
    18   1     0.02   0.14  -0.15    -0.01  -0.01   0.07     0.04  -0.00  -0.14
    19   1    -0.16  -0.06  -0.15     0.05   0.11   0.09    -0.14  -0.10  -0.08
    20   1    -0.05   0.14   0.15     0.03   0.01  -0.08    -0.03  -0.00   0.14
    21   1     0.17  -0.02   0.15    -0.09  -0.01  -0.01     0.16  -0.11   0.11
    22   1    -0.13  -0.06  -0.14     0.01  -0.03   0.09     0.03  -0.02   0.14
    23   1     0.13  -0.10  -0.14    -0.08   0.07   0.03    -0.19   0.04   0.12
    24   1    -0.09  -0.11   0.14    -0.00   0.02  -0.09    -0.03   0.03  -0.14
    25   1    -0.06   0.15   0.14    -0.04  -0.14  -0.10     0.04  -0.17  -0.07
    26   1     0.09  -0.04  -0.14    -0.20  -0.03   0.23    -0.07   0.03  -0.01
    27   1     0.18  -0.07   0.05    -0.25   0.10  -0.08    -0.14  -0.01  -0.08
    28   1    -0.01   0.10   0.14     0.04   0.00   0.10    -0.07  -0.20  -0.22
    29   1    -0.02   0.19  -0.05    -0.06  -0.01   0.04     0.01  -0.30   0.11
    30   1    -0.08  -0.07  -0.16     0.02  -0.05  -0.13    -0.09  -0.18  -0.19
    31   1    -0.16  -0.13   0.05    -0.05   0.03  -0.03    -0.20  -0.20   0.11
    32   1     0.09  -0.04   0.14    -0.11   0.16  -0.24     0.08  -0.05   0.01
    33   1     0.17  -0.08  -0.05    -0.23   0.09   0.07     0.11  -0.11  -0.09
    34   1    -0.02   0.10  -0.14    -0.07   0.14  -0.10     0.10  -0.10   0.21
    35   1    -0.03   0.18   0.05    -0.08   0.22   0.11    -0.00  -0.18  -0.03
    36   1    -0.08  -0.06   0.14    -0.16  -0.04   0.13    -0.12   0.01   0.19
    37   1    -0.15  -0.11  -0.05    -0.23  -0.11  -0.11    -0.08  -0.11  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3837               406.8987               407.1900
 Red. masses --      3.7095                 4.8639                 4.8637
 Frc consts  --      0.3539                 0.4745                 0.4751
 IR Inten    --      0.1622                 3.1760                 3.0218
 RamAct Fr= 1--      0.0384                 4.5056                 4.5918
  Dep-P Fr= 1--      0.7416                 0.7499                 0.7498
  Dep-U Fr= 1--      0.8517                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0055                 0.6436                 0.6559
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0175                -2.0567                -2.0160
 Delta2 Fr= 1--     -0.0027                -0.2674                -0.2706
 Raman1 Fr= 1--       0.154                 18.022                 18.367
 ROA1   Fr= 1--      -1.760               -206.000               -202.198
 CID1   Fr= 1--     -11.460                -11.430                -11.009
 Raman2 Fr= 1--       0.065                  7.723                  7.871
 ROA2   Fr= 1--      -0.398                -47.222                -46.220
 CID2   Fr= 1--      -6.078                 -6.114                 -5.872
 Raman3 Fr= 1--       0.131                 15.447                 15.741
 ROA3   Fr= 1--      -1.760               -206.000               -202.198
 CID3   Fr= 1--     -13.456                -13.336                -12.845
 RC180  Fr= 1--       0.703                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.03     0.04   0.10  -0.02    -0.05  -0.09   0.02
     2   6    -0.08   0.00  -0.03    -0.12  -0.02  -0.03     0.08   0.00   0.02
     3   7    -0.09  -0.04  -0.05    -0.18  -0.05  -0.13     0.10   0.03   0.08
     4  45    -0.00   0.01   0.09     0.08  -0.02   0.01     0.02   0.08  -0.01
     5   7     0.06   0.07  -0.05     0.09   0.13  -0.11    -0.08  -0.13   0.10
     6   7    -0.12   0.01  -0.07    -0.06  -0.00  -0.04    -0.19   0.01  -0.13
     7   6    -0.10  -0.02  -0.03    -0.04   0.01  -0.01    -0.13  -0.01  -0.03
     8   6     0.05  -0.08  -0.04    -0.01  -0.01  -0.00     0.08  -0.10  -0.03
     9   7     0.10  -0.08  -0.07     0.00   0.00  -0.00     0.15  -0.14  -0.14
    10   7     0.01   0.11  -0.06    -0.04  -0.17   0.12    -0.03  -0.11   0.08
    11   6     0.04   0.08  -0.03    -0.05  -0.11   0.02    -0.02  -0.07   0.02
    12   6     0.06  -0.07  -0.03    -0.07   0.11   0.03    -0.04   0.03   0.01
    13   7     0.04  -0.10  -0.07    -0.09   0.17   0.14    -0.03   0.06   0.05
    14   1     0.08  -0.13  -0.08    -0.01  -0.01  -0.01     0.07  -0.13  -0.07
    15   1     0.14   0.01   0.00     0.00  -0.00   0.00     0.22  -0.01   0.06
    16   1    -0.14  -0.04  -0.08    -0.05   0.00  -0.02    -0.14  -0.04  -0.06
    17   1    -0.09   0.10   0.00    -0.05   0.05   0.01    -0.15   0.14   0.06
    18   1     0.07   0.12  -0.07    -0.07  -0.11   0.06    -0.04  -0.09   0.04
    19   1    -0.07   0.11   0.00     0.08  -0.17  -0.06     0.06  -0.11  -0.03
    20   1     0.10  -0.10  -0.08    -0.10   0.10   0.06    -0.05   0.03   0.03
    21   1    -0.05  -0.13  -0.00     0.04   0.21  -0.06     0.01   0.07  -0.02
    22   1    -0.13   0.00  -0.07    -0.15  -0.00  -0.06     0.09  -0.02   0.04
    23   1    -0.05  -0.10  -0.00    -0.11  -0.17   0.06     0.06   0.10  -0.03
    24   1     0.03   0.13  -0.07     0.02   0.12  -0.06    -0.04  -0.12   0.05
    25   1     0.11   0.02  -0.01     0.16   0.05   0.05    -0.16  -0.05  -0.04
    26   1     0.11   0.06  -0.22     0.04   0.09  -0.09    -0.11  -0.14   0.14
    27   1     0.13  -0.06   0.04     0.12   0.17  -0.11    -0.14  -0.14   0.08
    28   1    -0.09  -0.10  -0.22    -0.19  -0.06  -0.16     0.06   0.00   0.06
    29   1     0.03  -0.15   0.04    -0.22  -0.11  -0.11     0.14   0.05   0.09
    30   1     0.01  -0.15  -0.24    -0.09   0.16   0.13    -0.02   0.00   0.02
    31   1    -0.11  -0.11   0.02    -0.11   0.24   0.13    -0.04   0.08   0.05
    32   1    -0.03   0.14  -0.23    -0.05  -0.12   0.09    -0.02  -0.15   0.12
    33   1    -0.14   0.07   0.02    -0.06  -0.24   0.13     0.01  -0.14   0.05
    34   1    -0.13   0.07  -0.24    -0.11   0.02  -0.08    -0.15  -0.01  -0.11
    35   1    -0.05   0.15   0.02    -0.06   0.04  -0.02    -0.27   0.01  -0.14
    36   1     0.15  -0.05  -0.24    -0.05   0.02   0.02     0.12  -0.13  -0.12
    37   1     0.14   0.07   0.02    -0.00  -0.02  -0.01     0.21  -0.19  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    463.2633               463.6083               500.8848
 Red. masses --      4.0188                 4.0242                 4.1867
 Frc consts  --      0.5082                 0.5096                 0.6189
 IR Inten    --      7.3678                 7.2955                 0.0006
 RamAct Fr= 1--      3.9165                 3.9566                45.8402
  Dep-P Fr= 1--      0.7491                 0.7498                 0.0018
  Dep-U Fr= 1--      0.8565                 0.8570                 0.0036
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.0144
 Beta2  Fr= 1--      0.5591                 0.5651                 0.0274
 AlphaG Fr= 1--      0.0000                 0.0000                 1.0605
 Gamma2 Fr= 1--      0.2380                 0.2386                 0.2523
 Delta2 Fr= 1--      0.0677                 0.0772                 0.0449
 Raman1 Fr= 1--      15.666                 15.826                183.361
 ROA1   Fr= 1--      25.019                 25.372                 25.653
 CID1   Fr= 1--       1.597                  1.603                  0.140
 Raman2 Fr= 1--       6.709                  6.782                  0.329
 ROA2   Fr= 1--       5.171                  5.108                  5.695
 CID2   Fr= 1--       0.771                  0.753                 17.317
 Raman3 Fr= 1--      13.418                 13.564                  0.658
 ROA3   Fr= 1--      25.019                 25.372                 25.653
 CID3   Fr= 1--       1.865                  1.871                 39.002
 RC180  Fr= 1--       0.713                  0.714                 -0.993
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04     0.02   0.04   0.00     0.01   0.00   0.02
     2   6     0.04   0.01  -0.03    -0.03  -0.00  -0.01     0.01   0.00  -0.02
     3   7    -0.15   0.05  -0.20    -0.07   0.01  -0.06    -0.13   0.03  -0.15
     4  45     0.03   0.01   0.00    -0.01   0.03   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.17   0.20     0.01  -0.01   0.04    -0.01  -0.13   0.15
     6   7    -0.07  -0.06  -0.14     0.13   0.07   0.16     0.12   0.06   0.16
     7   6     0.04  -0.00  -0.02     0.00   0.01   0.03    -0.01   0.00   0.02
     8   6     0.00   0.01   0.03    -0.03   0.03  -0.02    -0.01   0.00  -0.02
     9   7    -0.04   0.13   0.15     0.01  -0.10  -0.14     0.04  -0.12  -0.15
    10   7    -0.02  -0.00   0.05    -0.12  -0.12   0.20     0.09   0.10  -0.15
    11   6     0.01   0.04   0.00    -0.00   0.02   0.04     0.00  -0.01  -0.02
    12   6     0.02  -0.02  -0.01    -0.01   0.03  -0.03     0.00  -0.01   0.02
    13   7     0.06  -0.05  -0.07     0.14  -0.07  -0.20    -0.11   0.07   0.15
    14   1     0.01   0.03   0.05    -0.08   0.05  -0.01    -0.05   0.01  -0.02
    15   1    -0.10  -0.04  -0.06     0.05   0.01   0.09     0.09  -0.00   0.09
    16   1     0.09  -0.02  -0.02     0.01   0.03   0.06    -0.05   0.02   0.02
    17   1    -0.03   0.04   0.08     0.05  -0.10  -0.06     0.07  -0.06  -0.09
    18   1     0.02   0.09  -0.02    -0.03   0.04   0.06     0.01  -0.05  -0.02
    19   1    -0.02   0.00  -0.05     0.09  -0.08  -0.09    -0.04   0.08   0.09
    20   1     0.05  -0.04  -0.04    -0.01   0.08  -0.04     0.00  -0.05   0.02
    21   1    -0.05  -0.06   0.01    -0.05  -0.08   0.11     0.02   0.08  -0.09
    22   1     0.07   0.05  -0.04    -0.06   0.00  -0.04     0.05   0.03  -0.02
    23   1    -0.03  -0.09   0.11    -0.01  -0.07   0.01    -0.05  -0.07   0.09
    24   1     0.05   0.01   0.06     0.04   0.08  -0.02     0.04   0.02   0.02
    25   1    -0.13   0.00  -0.10     0.02  -0.01  -0.04    -0.08  -0.02  -0.09
    26   1    -0.05  -0.26   0.13     0.03  -0.03  -0.04    -0.01  -0.16   0.05
    27   1     0.01  -0.24   0.23     0.05  -0.09   0.09     0.02  -0.19   0.19
    28   1    -0.24   0.03  -0.09    -0.11  -0.02  -0.10    -0.16   0.04  -0.05
    29   1    -0.24   0.10  -0.25    -0.04  -0.03  -0.03    -0.19   0.07  -0.19
    30   1     0.06  -0.10  -0.10     0.19  -0.15  -0.09    -0.14   0.09   0.05
    31   1     0.01  -0.05  -0.04     0.23  -0.10  -0.24    -0.18   0.08   0.19
    32   1    -0.04  -0.01  -0.04    -0.14  -0.22   0.13     0.11   0.13  -0.05
    33   1    -0.11  -0.04   0.10    -0.17  -0.16   0.23     0.15   0.13  -0.19
    34   1    -0.13  -0.07  -0.02     0.21   0.05   0.13     0.15   0.08   0.05
    35   1    -0.15  -0.14  -0.19     0.14   0.07   0.16     0.16   0.12   0.20
    36   1    -0.11   0.18   0.13     0.05  -0.15  -0.03     0.05  -0.16  -0.05
    37   1    -0.05   0.14   0.15     0.01  -0.21  -0.20     0.03  -0.19  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.2913               536.4347               567.4495
 Red. masses --      1.6558                 1.6541                 1.9025
 Frc consts  --      0.2806                 0.2804                 0.3609
 IR Inten    --      2.4354                 2.4415                 1.9122
 RamAct Fr= 1--      0.2072                 0.2144                 0.0010
  Dep-P Fr= 1--      0.7478                 0.6924                 0.7494
  Dep-U Fr= 1--      0.8557                 0.8182                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0296                 0.0292                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0004                 0.0000
 Gamma2 Fr= 1--      0.6046                 0.6080                -0.0011
 Delta2 Fr= 1--      0.3242                 0.3271                -0.0008
 Raman1 Fr= 1--       0.829                  0.858                  0.004
 ROA1   Fr= 1--      68.417                 68.835                 -0.130
 CID1   Fr= 1--      82.544                 80.247                -32.327
 Raman2 Fr= 1--       0.355                  0.351                  0.002
 ROA2   Fr= 1--      11.917                 11.974                 -0.019
 CID2   Fr= 1--      33.605                 34.122                -11.103
 Raman3 Fr= 1--       0.709                  0.702                  0.003
 ROA3   Fr= 1--      68.417                 68.835                 -0.130
 CID3   Fr= 1--      96.462                 98.076                -37.732
 RC180  Fr= 1--       0.711                  0.636                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.01     0.02   0.09  -0.02    -0.01  -0.07   0.01
     2   6     0.04  -0.00   0.01    -0.08   0.01  -0.02     0.07  -0.01   0.01
     3   7     0.00   0.02  -0.02     0.02  -0.03   0.08    -0.03   0.02  -0.07
     4  45    -0.01  -0.00  -0.00     0.00  -0.01   0.00     0.00   0.00   0.04
     5   7    -0.00   0.02  -0.04     0.03  -0.03   0.07    -0.01   0.03  -0.07
     6   7     0.00  -0.03  -0.04    -0.02  -0.03  -0.07    -0.02  -0.02  -0.07
     7   6     0.06   0.02   0.01     0.06   0.03   0.02     0.06   0.02   0.01
     8   6    -0.02   0.05   0.02    -0.03   0.07   0.02    -0.03   0.06   0.01
     9   7    -0.00  -0.03  -0.06    -0.02  -0.02  -0.06    -0.00  -0.03  -0.07
    10   7    -0.04  -0.00   0.08     0.01   0.01  -0.03     0.03   0.02  -0.07
    11   6     0.06   0.08  -0.02    -0.01  -0.00   0.00    -0.04  -0.05   0.01
    12   6     0.07  -0.06  -0.02    -0.01   0.02   0.00    -0.05   0.04   0.01
    13   7    -0.04  -0.01   0.08     0.00   0.01   0.00     0.03  -0.01  -0.07
    14   1    -0.12   0.16   0.10    -0.14   0.20   0.12    -0.14   0.21   0.12
    15   1    -0.03  -0.11   0.11    -0.05  -0.12   0.12    -0.03  -0.14   0.13
    16   1     0.19   0.04   0.10     0.25   0.04   0.13     0.25   0.04   0.12
    17   1    -0.03  -0.09   0.09    -0.07  -0.12   0.13    -0.07  -0.12   0.13
    18   1     0.13   0.28  -0.16    -0.02  -0.05   0.03    -0.11  -0.23   0.12
    19   1    -0.16  -0.03  -0.16     0.03   0.02   0.03     0.14   0.04   0.13
    20   1     0.20  -0.24  -0.16    -0.03   0.03   0.02    -0.16   0.19   0.12
    21   1    -0.17  -0.01  -0.16     0.02   0.02   0.01     0.14  -0.01   0.13
    22   1     0.11   0.01   0.06    -0.29  -0.02  -0.15     0.25   0.02   0.12
    23   1    -0.03   0.05   0.05     0.10  -0.12  -0.15    -0.10   0.10   0.13
    24   1    -0.04  -0.12   0.06     0.10   0.27  -0.15    -0.09  -0.24   0.12
    25   1    -0.03   0.06   0.07     0.09  -0.12  -0.15    -0.07   0.13   0.13
    26   1    -0.03   0.04   0.09     0.02  -0.10  -0.12    -0.00   0.09   0.06
    27   1    -0.05   0.13  -0.11     0.11  -0.17   0.16    -0.08   0.10  -0.12
    28   1    -0.04   0.00   0.02     0.09  -0.07  -0.15    -0.08   0.03   0.06
    29   1    -0.01   0.04  -0.03     0.17  -0.17   0.19    -0.08   0.10  -0.12
    30   1    -0.11   0.02  -0.15     0.00  -0.02  -0.02     0.08  -0.04   0.06
    31   1    -0.24  -0.00   0.19    -0.02   0.02   0.01     0.13   0.01  -0.12
    32   1    -0.10  -0.05  -0.14     0.03  -0.00   0.06     0.06   0.06   0.06
    33   1    -0.22  -0.05   0.18     0.08   0.04  -0.07     0.13   0.02  -0.12
    34   1    -0.05  -0.04   0.06    -0.06  -0.08   0.14    -0.07  -0.05   0.06
    35   1    -0.03  -0.10  -0.09    -0.12  -0.19  -0.17    -0.05  -0.12  -0.12
    36   1    -0.02  -0.08   0.12     0.01  -0.09   0.09     0.02  -0.08   0.05
    37   1    -0.04  -0.19  -0.15    -0.06  -0.14  -0.13    -0.05  -0.12  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --    689.1541               689.9693               698.5177
 Red. masses --      1.2804                 1.2782                 1.4038
 Frc consts  --      0.3583                 0.3585                 0.4036
 IR Inten    --      1.4153                 1.3810                 1.3084
 RamAct Fr= 1--      0.9993                 1.0237                 0.0023
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7130
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8325
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1427                 0.1462                 0.0003
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      6.4883                 6.4454                -0.0029
 Delta2 Fr= 1--      0.0362                 0.0246                -0.0005
 Raman1 Fr= 1--       3.997                  4.095                  0.009
 ROA1   Fr= 1--     624.031                619.546                 -0.291
 CID1   Fr= 1--     156.116                151.308                -32.077
 Raman2 Fr= 1--       1.713                  1.755                  0.004
 ROA2   Fr= 1--     155.429                154.492                 -0.064
 CID2   Fr= 1--      90.741                 88.039                -17.034
 Raman3 Fr= 1--       3.426                  3.510                  0.008
 ROA3   Fr= 1--     624.031                619.546                 -0.291
 CID3   Fr= 1--     182.158                176.527                -38.533
 RC180  Fr= 1--       0.714                  0.714                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.02   0.00  -0.01    -0.00   0.03  -0.01
     2   6     0.00   0.01  -0.01     0.00  -0.01  -0.00    -0.03   0.01  -0.01
     3   7    -0.03   0.03   0.01     0.03  -0.06  -0.02     0.01  -0.06  -0.01
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     5   7     0.03  -0.03  -0.02    -0.04   0.05   0.01     0.05  -0.03  -0.01
     6   7     0.02   0.03  -0.00     0.02   0.07  -0.02    -0.00   0.06  -0.01
     7   6    -0.01   0.01   0.01    -0.00   0.02  -0.00    -0.03  -0.02  -0.01
     8   6    -0.00  -0.01   0.01    -0.02  -0.01  -0.00     0.01  -0.03  -0.01
     9   7    -0.02  -0.02   0.02    -0.03  -0.06   0.02     0.05   0.04  -0.01
    10   7    -0.08  -0.00  -0.02    -0.01  -0.01   0.01    -0.06   0.02  -0.01
    11   6    -0.01   0.01   0.00     0.00   0.01   0.01     0.03   0.02  -0.01
    12   6     0.01   0.01  -0.00     0.00  -0.00   0.01     0.03  -0.02  -0.01
    13   7     0.07   0.02   0.02     0.00   0.01   0.01    -0.05  -0.03  -0.01
    14   1     0.06  -0.06  -0.03     0.08  -0.05  -0.01    -0.03  -0.06  -0.06
    15   1     0.00   0.07  -0.04    -0.00   0.06  -0.04     0.04  -0.00   0.01
    16   1     0.02  -0.02  -0.01     0.12  -0.01   0.03    -0.03  -0.06  -0.06
    17   1    -0.01  -0.00   0.00    -0.07  -0.07   0.05    -0.02   0.03   0.00
    18   1    -0.01  -0.12   0.02     0.02   0.03  -0.02     0.07   0.01  -0.06
    19   1     0.08   0.05   0.05    -0.03  -0.01  -0.02    -0.02   0.03   0.00
    20   1     0.04  -0.11  -0.02     0.03  -0.04  -0.02     0.07   0.01  -0.06
    21   1    -0.08   0.02  -0.05    -0.04   0.01  -0.02    -0.01  -0.04   0.00
    22   1    -0.03  -0.02   0.00     0.11   0.04   0.03    -0.04   0.05  -0.06
    23   1     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.02  -0.03   0.00
    24   1    -0.05  -0.08   0.03     0.05   0.06  -0.01    -0.04   0.06  -0.06
    25   1    -0.02   0.08   0.04     0.01  -0.05  -0.03     0.04   0.01   0.00
    26   1    -0.09  -0.05   0.23     0.10   0.07  -0.29    -0.12  -0.11   0.24
    27   1    -0.07   0.18  -0.14     0.07  -0.22   0.17    -0.04   0.20  -0.14
    28   1    -0.06  -0.04  -0.18     0.11   0.10   0.32     0.14   0.10   0.25
    29   1     0.12  -0.07   0.10    -0.21   0.15  -0.20    -0.19   0.09  -0.15
    30   1     0.01  -0.16  -0.36    -0.00  -0.03  -0.05    -0.03   0.17   0.25
    31   1    -0.29   0.05   0.22    -0.05  -0.00   0.04     0.20  -0.07  -0.14
    32   1     0.03  -0.16   0.37    -0.01   0.01   0.00     0.01  -0.17   0.24
    33   1     0.27   0.13  -0.23    -0.01   0.01   0.01     0.17   0.11  -0.14
    34   1     0.05  -0.02   0.14     0.14  -0.07   0.34     0.15  -0.06   0.24
    35   1    -0.07  -0.08  -0.08    -0.18  -0.22  -0.21    -0.15  -0.13  -0.14
    36   1     0.08  -0.02  -0.18     0.12  -0.05  -0.32    -0.16   0.07   0.26
    37   1     0.02   0.15   0.11     0.02   0.25   0.19     0.01  -0.21  -0.15
                     28                     29                     30
                      A                      A                      A
 Frequencies --    716.1516               771.0379               771.9750
 Red. masses --      1.3168                 1.4415                 1.4397
 Frc consts  --      0.3979                 0.5049                 0.5055
 IR Inten    --      0.0013                17.4278                17.5667
 RamAct Fr= 1--      1.3353                 0.6886                 0.7172
  Dep-P Fr= 1--      0.1268                 0.7489                 0.7481
  Dep-U Fr= 1--      0.2250                 0.8564                 0.8559
 Alpha2 Fr= 1--      0.0219                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0501                 0.0983                 0.1023
 AlphaG Fr= 1--     -0.3611                 0.0000                -0.0000
 Gamma2 Fr= 1--     -3.6293                -2.7240                -2.7182
 Delta2 Fr= 1--      0.4707                 0.0051                 0.0095
 Raman1 Fr= 1--       5.341                  2.754                  2.869
 ROA1   Fr= 1--    -333.355               -261.340               -260.641
 CID1   Fr= 1--     -62.414                -94.884                -90.858
 Raman2 Fr= 1--       0.601                  1.179                  1.228
 ROA2   Fr= 1--     -90.869                -65.417                -65.312
 CID2   Fr= 1--    -151.198                -55.467                -53.199
 Raman3 Fr= 1--       1.202                  2.359                  2.455
 ROA3   Fr= 1--    -333.355               -261.340               -260.641
 CID3   Fr= 1--    -277.336               -110.794               -106.152
 RC180  Fr= 1--      -0.550                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.00    -0.00  -0.03  -0.01     0.01  -0.03  -0.01
     2   6     0.00   0.02  -0.00     0.02  -0.01  -0.01     0.04  -0.01  -0.01
     3   7    -0.03   0.05   0.01    -0.03   0.04   0.01    -0.04   0.06   0.02
     4  45     0.00   0.00   0.00     0.02  -0.00   0.00    -0.00  -0.02   0.00
     5   7     0.04  -0.05  -0.01    -0.04   0.04   0.01    -0.05   0.05   0.01
     6   7     0.02   0.06  -0.01    -0.01  -0.03   0.00     0.02   0.08  -0.02
     7   6    -0.01   0.01   0.00     0.01   0.01  -0.00    -0.03  -0.02   0.01
     8   6    -0.02  -0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.04   0.01
     9   7    -0.03  -0.05   0.01    -0.02  -0.03   0.01     0.04   0.07  -0.01
    10   7     0.06   0.00   0.01    -0.09  -0.00  -0.02     0.01   0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.03   0.03   0.01    -0.00   0.00  -0.00
    12   6    -0.01  -0.01   0.00     0.04  -0.02   0.01    -0.01   0.01  -0.00
    13   7    -0.06  -0.01  -0.01    -0.09  -0.02  -0.02     0.01   0.01   0.01
    14   1     0.06  -0.05  -0.02     0.01   0.06   0.04    -0.01  -0.14  -0.11
    15   1     0.00   0.08  -0.04    -0.02  -0.02   0.00     0.05   0.07  -0.01
    16   1     0.08  -0.01   0.02     0.04   0.04   0.05    -0.09  -0.11  -0.11
    17   1    -0.06  -0.06   0.04    -0.01  -0.04   0.00     0.01   0.08  -0.01
    18   1     0.01   0.08  -0.02     0.14   0.06  -0.12    -0.02  -0.01   0.02
    19   1    -0.07  -0.04  -0.04    -0.09   0.01  -0.01     0.02   0.01   0.00
    20   1    -0.03   0.07   0.02     0.15  -0.03  -0.12    -0.02  -0.00   0.01
    21   1     0.08  -0.02   0.04    -0.08  -0.03  -0.01     0.01   0.01   0.00
    22   1    -0.08  -0.03  -0.02     0.08  -0.05   0.07     0.10  -0.07   0.09
    23   1     0.07  -0.04  -0.04    -0.03   0.05   0.01    -0.02   0.07   0.01
    24   1    -0.05  -0.07   0.02     0.03  -0.09   0.07     0.04  -0.12   0.09
    25   1    -0.02   0.08   0.04    -0.04   0.03   0.01    -0.05   0.05   0.01
    26   1    -0.10  -0.08   0.26     0.10   0.09  -0.21     0.12   0.11  -0.27
    27   1    -0.08   0.19  -0.16     0.03  -0.17   0.13     0.04  -0.22   0.15
    28   1    -0.10  -0.07  -0.26    -0.11  -0.06  -0.20    -0.14  -0.09  -0.27
    29   1     0.16  -0.13   0.16     0.15  -0.08   0.12     0.20  -0.10   0.16
    30   1    -0.02   0.12   0.26    -0.05   0.20   0.34     0.01  -0.03  -0.05
    31   1     0.20  -0.03  -0.16     0.26  -0.09  -0.20    -0.04   0.02   0.03
    32   1    -0.01   0.12  -0.25     0.01  -0.20   0.33     0.00   0.02  -0.04
    33   1    -0.18  -0.08   0.15     0.23   0.16  -0.20    -0.03  -0.02   0.02
    34   1     0.12  -0.05   0.26    -0.07   0.02  -0.13     0.18  -0.06   0.31
    35   1    -0.13  -0.17  -0.16     0.08   0.07   0.07    -0.20  -0.17  -0.19
    36   1     0.11  -0.05  -0.25     0.07  -0.04  -0.13    -0.17   0.09   0.31
    37   1     0.03   0.20   0.16    -0.01   0.11   0.08     0.02  -0.26  -0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.4167               866.4630               868.8075
 Red. masses --      3.0280                 3.0075                 3.2052
 Frc consts  --      1.3392                 1.3303                 1.4254
 IR Inten    --     14.2994                14.2424                 0.0312
 RamAct Fr= 1--      0.4846                 0.5373                 9.5004
  Dep-P Fr= 1--      0.7250                 0.7118                 0.0110
  Dep-U Fr= 1--      0.8406                 0.8316                 0.0218
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.2057
 Beta2  Fr= 1--      0.0679                 0.0745                 0.0345
 AlphaG Fr= 1--     -0.0001                -0.0001                -0.0865
 Gamma2 Fr= 1--      2.5243                 2.7982                -1.3366
 Delta2 Fr= 1--      1.2651                 1.3417                -1.1160
 Raman1 Fr= 1--       1.938                  2.149                 38.002
 ROA1   Fr= 1--     282.816                311.557               -164.026
 CID1   Fr= 1--     145.910                144.966                 -4.316
 Raman2 Fr= 1--       0.815                  0.894                  0.415
 ROA2   Fr= 1--      50.462                 56.423                -23.150
 CID2   Fr= 1--      61.943                 63.135                -55.848
 Raman3 Fr= 1--       1.629                  1.787                  0.829
 ROA3   Fr= 1--     282.816                311.557               -164.026
 CID3   Fr= 1--     173.582                174.312               -197.849
 RC180  Fr= 1--       0.681                  0.663                 -0.956
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.07     0.04   0.16  -0.03    -0.03  -0.13   0.02
     2   6     0.04  -0.01   0.07     0.16  -0.00   0.01    -0.13   0.00  -0.00
     3   7     0.02   0.04  -0.04    -0.06  -0.09   0.06     0.05   0.07  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.08  -0.03  -0.06    -0.08  -0.03  -0.05     0.07   0.03   0.04
     6   7    -0.09   0.08   0.08     0.01  -0.02  -0.02    -0.09   0.07   0.07
     7   6     0.15   0.04  -0.01     0.06   0.03   0.08     0.14   0.04  -0.01
     8   6     0.07  -0.14  -0.04     0.04  -0.05   0.06     0.07  -0.13  -0.04
     9   7    -0.07   0.01  -0.04    -0.10   0.01  -0.07    -0.07   0.01  -0.03
    10   7    -0.05   0.12   0.08     0.00  -0.01   0.00     0.04  -0.10  -0.07
    11   6    -0.06  -0.12  -0.03     0.07   0.10  -0.07     0.07   0.12  -0.00
    12   6     0.11  -0.09  -0.06    -0.07   0.08  -0.05    -0.11   0.10   0.03
    13   7     0.00   0.04  -0.02    -0.02  -0.12   0.08    -0.01  -0.08   0.04
    14   1    -0.05  -0.00   0.06     0.06  -0.16  -0.05    -0.05   0.00   0.05
    15   1    -0.08  -0.37  -0.07     0.02   0.09  -0.04    -0.08  -0.35  -0.07
    16   1     0.08   0.07  -0.01    -0.13  -0.02  -0.08     0.07   0.08  -0.00
    17   1     0.12   0.18   0.08     0.18   0.28   0.03     0.11   0.17   0.07
    18   1    -0.11  -0.09   0.01    -0.03  -0.11   0.08     0.08   0.02   0.01
    19   1    -0.12  -0.04   0.07     0.38   0.12  -0.05     0.23   0.08  -0.07
    20   1    -0.02   0.07   0.07    -0.14   0.08   0.04    -0.03  -0.04  -0.04
    21   1     0.40  -0.02  -0.06    -0.03   0.00   0.06    -0.33   0.02   0.07
    22   1    -0.15  -0.00  -0.07     0.06  -0.05  -0.03    -0.05   0.04   0.02
    23   1     0.20  -0.19   0.01     0.20  -0.18   0.08    -0.16   0.15  -0.06
    24   1     0.02   0.16  -0.06    -0.04   0.03   0.04     0.03  -0.02  -0.03
    25   1     0.07  -0.14  -0.02    -0.15   0.29  -0.08     0.13  -0.24   0.06
    26   1    -0.02   0.01  -0.13    -0.15  -0.12  -0.11     0.12   0.10   0.10
    27   1     0.00  -0.02  -0.03    -0.05  -0.07  -0.03     0.03   0.06   0.01
    28   1    -0.06  -0.02  -0.08    -0.15  -0.12   0.14     0.12   0.09  -0.13
    29   1    -0.02  -0.02  -0.02    -0.08  -0.03   0.03     0.06   0.01  -0.02
    30   1    -0.04   0.18  -0.04    -0.00  -0.12   0.17     0.03  -0.18   0.09
    31   1    -0.02   0.07  -0.01     0.03  -0.05   0.04     0.03  -0.07   0.02
    32   1    -0.03   0.15   0.17     0.00  -0.15   0.00     0.02  -0.17  -0.13
    33   1     0.02   0.07   0.04    -0.00  -0.07   0.00    -0.01  -0.08  -0.03
    34   1    -0.16   0.08   0.16    -0.10   0.02  -0.05    -0.16   0.07   0.15
    35   1    -0.08   0.01   0.04    -0.04   0.01  -0.01    -0.07   0.00   0.04
    36   1    -0.18   0.08  -0.08    -0.06   0.00  -0.15    -0.16   0.08  -0.08
    37   1    -0.07   0.05  -0.02    -0.01   0.03  -0.03    -0.06   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9604               869.0746               878.0459
 Red. masses --      2.6494                 2.6150                 2.4581
 Frc consts  --      1.1787                 1.1637                 1.1165
 IR Inten    --      0.0504                 0.0109                 0.2974
 RamAct Fr= 1--      3.5860                 3.5419                 0.0032
  Dep-P Fr= 1--      0.6625                 0.7459                 0.5617
  Dep-U Fr= 1--      0.7970                 0.8544                 0.7194
 Alpha2 Fr= 1--      0.0056                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4763                 0.5044                 0.0004
 AlphaG Fr= 1--     -0.0019                -0.0002                -0.0000
 Gamma2 Fr= 1--     -0.3621                -0.2264                -0.0010
 Delta2 Fr= 1--     -1.0725                -1.0342                -0.0009
 Raman1 Fr= 1--      14.344                 14.167                  0.013
 ROA1   Fr= 1--     -69.080                -54.831                 -0.127
 CID1   Fr= 1--      -4.816                 -3.870                 -9.773
 Raman2 Fr= 1--       5.716                  6.053                  0.005
 ROA2   Fr= 1--      -0.109                  2.840                 -0.017
 CID2   Fr= 1--      -0.019                  0.469                 -3.571
 Raman3 Fr= 1--      11.432                 12.105                  0.009
 ROA3   Fr= 1--     -69.080                -54.831                 -0.127
 CID3   Fr= 1--      -6.043                 -4.529                -13.586
 RC180  Fr= 1--       0.594                  0.709                  0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.11  -0.00     0.01  -0.03   0.12     0.01  -0.01   0.09
     2   6     0.12  -0.00   0.03    -0.00  -0.02   0.11     0.00  -0.01   0.09
     3   7    -0.04  -0.04   0.04     0.06   0.09  -0.09     0.05   0.05  -0.08
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.01
     5   7    -0.07  -0.04  -0.06    -0.09  -0.02  -0.08    -0.06  -0.03  -0.08
     6   7    -0.07   0.06   0.08     0.01   0.00  -0.01     0.06  -0.04  -0.08
     7   6     0.01  -0.02  -0.10    -0.09  -0.03  -0.06     0.00   0.01   0.09
     8   6    -0.00  -0.03  -0.11    -0.05   0.07  -0.03     0.01   0.01   0.09
     9   7     0.09   0.00   0.07     0.09  -0.02   0.07    -0.07   0.01  -0.08
    10   7     0.04  -0.09  -0.09    -0.02   0.02   0.02     0.02  -0.07  -0.08
    11   6     0.00   0.03   0.08     0.04   0.06  -0.08    -0.01   0.00   0.09
    12   6    -0.04   0.02   0.10    -0.03   0.05  -0.06    -0.01  -0.01   0.09
    13   7     0.02   0.06  -0.05    -0.01  -0.10   0.08     0.00   0.07  -0.08
    14   1    -0.10   0.21   0.11     0.01   0.10   0.03     0.05  -0.20  -0.11
    15   1    -0.08  -0.33  -0.00    -0.00   0.07   0.03     0.08   0.27   0.02
    16   1     0.19   0.09   0.10     0.12  -0.01   0.07    -0.18  -0.10  -0.11
    17   1    -0.14  -0.24  -0.00    -0.19  -0.28  -0.03     0.13   0.25   0.02
    18   1     0.13   0.13  -0.08    -0.07  -0.16   0.09     0.14   0.14  -0.11
    19   1    -0.18  -0.04  -0.01     0.35   0.11  -0.02    -0.27  -0.06   0.02
    20   1     0.14  -0.15  -0.10    -0.13   0.06   0.06     0.17  -0.10  -0.11
    21   1    -0.36   0.02   0.01     0.07   0.01   0.02    -0.28  -0.01   0.02
    22   1    -0.05  -0.05  -0.04    -0.24   0.03  -0.11    -0.20   0.05  -0.12
    23   1     0.23  -0.20   0.04     0.22  -0.22  -0.00     0.19  -0.21   0.02
    24   1    -0.06   0.03   0.01     0.04   0.24  -0.12     0.00   0.21  -0.12
    25   1    -0.08   0.19  -0.04     0.17  -0.32   0.01     0.15  -0.24   0.02
    26   1    -0.12  -0.08  -0.07     0.01   0.05  -0.13    -0.03   0.02  -0.05
    27   1    -0.07  -0.05  -0.06     0.02   0.01  -0.05    -0.03   0.03  -0.09
    28   1    -0.12  -0.09   0.03    -0.03   0.03  -0.14    -0.01   0.03  -0.05
    29   1    -0.07  -0.05   0.04    -0.00   0.00  -0.06    -0.03   0.03  -0.09
    30   1     0.04  -0.06  -0.10    -0.02  -0.07   0.10     0.03   0.02  -0.04
    31   1     0.00  -0.04  -0.02    -0.00  -0.05   0.07     0.04   0.00  -0.09
    32   1     0.04  -0.03  -0.11    -0.01  -0.10   0.07     0.03  -0.01  -0.05
    33   1     0.01  -0.02  -0.07     0.01  -0.06   0.00     0.04   0.00  -0.09
    34   1     0.02   0.03   0.12     0.12  -0.03   0.02     0.00  -0.03  -0.05
    35   1    -0.00   0.01   0.06     0.07  -0.03  -0.02    -0.02  -0.04  -0.09
    36   1    -0.02   0.04   0.13     0.10  -0.02   0.08    -0.03  -0.02  -0.05
    37   1    -0.02   0.01   0.04     0.06  -0.02   0.06    -0.02  -0.04  -0.09
                     37                     38                     39
                      A                      A                      A
 Frequencies --    980.6483               983.4730               983.5712
 Red. masses --      2.2217                 2.2430                 2.2466
 Frc consts  --      1.2588                 1.2782                 1.2805
 IR Inten    --     12.9008                 0.0167                 0.0172
 RamAct Fr= 1--      0.0120                 3.1710                 3.1199
  Dep-P Fr= 1--      0.6824                 0.7500                 0.7496
  Dep-U Fr= 1--      0.8112                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0016                 0.4530                 0.4455
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0050                -0.7573                -0.7503
 Delta2 Fr= 1--     -0.0054                -1.3644                -1.3569
 Raman1 Fr= 1--       0.048                 12.684                 12.479
 ROA1   Fr= 1--      -0.649               -116.363               -115.447
 CID1   Fr= 1--     -13.475                 -9.174                 -9.251
 Raman2 Fr= 1--       0.020                  5.436                  5.347
 ROA2   Fr= 1--      -0.076                 -7.260                 -7.151
 CID2   Fr= 1--      -3.918                 -1.336                 -1.337
 Raman3 Fr= 1--       0.039                 10.871                 10.693
 ROA3   Fr= 1--      -0.649               -116.363               -115.447
 CID3   Fr= 1--     -16.611                -10.704                -10.796
 RC180  Fr= 1--       0.622                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.07   0.00     0.05   0.03  -0.00    -0.13  -0.10  -0.01
     2   6    -0.09  -0.07   0.00    -0.04  -0.03   0.01     0.13   0.10  -0.00
     3   7     0.04   0.03  -0.01     0.02   0.01  -0.01    -0.07  -0.04   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.04  -0.03  -0.01    -0.02  -0.02  -0.00     0.06   0.05   0.02
     6   7     0.05  -0.02  -0.01     0.05  -0.02  -0.02     0.05  -0.02  -0.01
     7   6    -0.11   0.05   0.00    -0.11   0.04   0.01    -0.11   0.05   0.00
     8   6     0.11  -0.05   0.00     0.12  -0.05   0.00     0.11  -0.05   0.01
     9   7    -0.05   0.02  -0.01    -0.05   0.03  -0.01    -0.05   0.02  -0.02
    10   7     0.01  -0.06  -0.02    -0.01   0.08   0.02     0.00  -0.02  -0.00
    11   6    -0.02   0.13   0.00     0.02  -0.16  -0.01    -0.01   0.04  -0.00
    12   6     0.02  -0.13   0.00    -0.02   0.16  -0.00     0.01  -0.03   0.01
    13   7    -0.01   0.06  -0.02     0.01  -0.08   0.02    -0.00   0.02  -0.01
    14   1    -0.00   0.13   0.15    -0.03   0.14   0.14    -0.00   0.10   0.13
    15   1     0.13  -0.19   0.12     0.14  -0.21   0.14     0.13  -0.18   0.12
    16   1     0.10   0.09   0.15     0.08   0.08   0.14     0.11   0.07   0.14
    17   1    -0.23  -0.05   0.12    -0.23  -0.03   0.12    -0.24  -0.04   0.13
    18   1    -0.12  -0.07   0.16     0.13   0.09  -0.18    -0.04  -0.05   0.04
    19   1     0.11   0.22   0.13    -0.13  -0.28  -0.17     0.04   0.07   0.05
    20   1    -0.13   0.04   0.16     0.15  -0.07  -0.18    -0.02  -0.01   0.04
    21   1     0.16  -0.19   0.13    -0.20   0.25  -0.17     0.03  -0.05   0.03
    22   1     0.11  -0.06   0.14     0.02  -0.03   0.06    -0.16   0.06  -0.19
    23   1    -0.22  -0.01   0.11    -0.09  -0.02   0.05     0.33   0.03  -0.18
    24   1     0.03  -0.12   0.14    -0.00  -0.07   0.06    -0.03   0.16  -0.19
    25   1     0.07   0.21   0.11     0.03   0.11   0.06    -0.12  -0.30  -0.18
    26   1    -0.11  -0.11  -0.04    -0.04  -0.04  -0.00     0.17   0.16   0.04
    27   1    -0.05  -0.08  -0.00    -0.05  -0.05  -0.01     0.10   0.12   0.01
    28   1     0.14   0.08  -0.04     0.07   0.04  -0.02    -0.19  -0.11   0.03
    29   1     0.09   0.03  -0.00     0.03   0.01  -0.00    -0.16  -0.07   0.01
    30   1    -0.04   0.17  -0.05     0.05  -0.21   0.03    -0.02   0.06  -0.02
    31   1    -0.05   0.10  -0.00     0.05  -0.16   0.01    -0.01   0.01  -0.00
    32   1     0.00  -0.18  -0.04    -0.00   0.22   0.03     0.00  -0.04   0.00
    33   1    -0.02  -0.11  -0.00     0.02   0.15   0.01     0.00  -0.06  -0.01
    34   1     0.16  -0.04  -0.04     0.17  -0.05  -0.03     0.15  -0.04  -0.02
    35   1     0.11  -0.01  -0.00     0.10  -0.01  -0.01     0.13  -0.03  -0.01
    36   1    -0.15   0.08  -0.04    -0.14   0.08  -0.02    -0.15   0.08  -0.03
    37   1    -0.08   0.07  -0.00    -0.12   0.07  -0.01    -0.08   0.06  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1001.4770              1001.5054              1006.7972
 Red. masses --      1.2593                 1.2586                 1.2611
 Frc consts  --      0.7442                 0.7438                 0.7532
 IR Inten    --      6.2414                 6.3425                 0.0080
 RamAct Fr= 1--      0.1560                 0.1671                 1.2428
  Dep-P Fr= 1--      0.7300                 0.7449                 0.0658
  Dep-U Fr= 1--      0.8439                 0.8538                 0.1235
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0236
 Beta2  Fr= 1--      0.0219                 0.0238                 0.0256
 AlphaG Fr= 1--      0.0004                 0.0002                 0.2874
 Gamma2 Fr= 1--      1.6781                 1.6697                -1.5256
 Delta2 Fr= 1--     -0.1796                -0.2312                -0.2324
 Raman1 Fr= 1--       0.624                  0.668                  4.971
 ROA1   Fr= 1--     155.349                152.892               -153.891
 CID1   Fr= 1--     248.949                228.712                -30.956
 Raman2 Fr= 1--       0.263                  0.285                  0.307
 ROA2   Fr= 1--      41.710                 41.923                -34.754
 CID2   Fr= 1--     158.403                146.899               -113.205
 Raman3 Fr= 1--       0.527                  0.571                  0.614
 ROA3   Fr= 1--     155.349                152.892               -153.891
 CID3   Fr= 1--     294.985                267.868               -250.640
 RC180  Fr= 1--       0.688                  0.708                 -0.753
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.05    -0.00  -0.01   0.00     0.04  -0.03  -0.04
     2   6     0.02  -0.06  -0.05     0.01   0.01   0.01    -0.01   0.05   0.04
     3   7    -0.01   0.01   0.02    -0.00   0.00  -0.01     0.00  -0.01  -0.01
     4  45    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.01  -0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
     6   7     0.00  -0.00   0.01     0.00   0.01  -0.01     0.00  -0.01   0.01
     7   6    -0.01   0.04  -0.03    -0.01  -0.06   0.04     0.00   0.05  -0.04
     8   6    -0.02  -0.03   0.02     0.04   0.04  -0.04    -0.03  -0.03   0.04
     9   7     0.00   0.01  -0.00    -0.00  -0.00   0.02     0.01   0.01  -0.01
    10   7    -0.00   0.00  -0.01    -0.01  -0.00  -0.01    -0.01   0.00  -0.01
    11   6     0.03  -0.02   0.03     0.06  -0.01   0.04     0.04  -0.01   0.03
    12   6    -0.03  -0.01  -0.02    -0.05  -0.03  -0.05    -0.04  -0.02  -0.04
    13   7     0.01  -0.00   0.00     0.00   0.00   0.02     0.01   0.00   0.01
    14   1     0.12  -0.10   0.00    -0.19   0.19   0.03     0.16  -0.16  -0.02
    15   1    -0.02   0.09  -0.06     0.03  -0.20   0.09    -0.02   0.16  -0.07
    16   1     0.17   0.01   0.03    -0.26   0.01  -0.01     0.23  -0.01   0.02
    17   1    -0.11  -0.08   0.05     0.14   0.10  -0.09    -0.13  -0.10   0.07
    18   1     0.05   0.16  -0.03     0.06   0.26  -0.01     0.05   0.21  -0.02
    19   1    -0.11  -0.08  -0.06    -0.14  -0.12  -0.10    -0.12  -0.09  -0.07
    20   1    -0.06   0.14  -0.00    -0.14   0.24   0.03    -0.10   0.19   0.02
    21   1     0.08  -0.04   0.06     0.19  -0.08   0.10     0.14  -0.06   0.07
    22   1     0.29   0.09   0.02    -0.02   0.01  -0.02    -0.22  -0.07  -0.02
    23   1    -0.20   0.08   0.11     0.03  -0.02   0.00     0.15  -0.06  -0.08
    24   1     0.16   0.26  -0.03    -0.01   0.01  -0.02    -0.12  -0.20   0.02
    25   1     0.02  -0.22  -0.11     0.01  -0.02   0.00    -0.02   0.16   0.08
    26   1    -0.15  -0.16  -0.04     0.00   0.01  -0.00     0.12   0.13   0.02
    27   1     0.24   0.23  -0.00    -0.01  -0.01  -0.00    -0.17  -0.16   0.01
    28   1    -0.20  -0.10   0.04     0.01   0.01  -0.00     0.16   0.08  -0.03
    29   1     0.28   0.17   0.00    -0.00   0.00  -0.00    -0.20  -0.12  -0.00
    30   1     0.04  -0.11   0.02     0.06  -0.19   0.03     0.05  -0.15   0.02
    31   1    -0.04   0.18  -0.00    -0.07   0.29   0.00    -0.05   0.21   0.00
    32   1    -0.00  -0.12  -0.02    -0.01  -0.20  -0.03    -0.01  -0.16  -0.02
    33   1    -0.00   0.17  -0.01    -0.01   0.30  -0.00    -0.01   0.22  -0.00
    34   1    -0.12   0.03   0.02     0.19  -0.04  -0.03    -0.17   0.03   0.02
    35   1     0.16  -0.05   0.00    -0.28   0.08  -0.00     0.22  -0.07   0.00
    36   1    -0.10   0.07  -0.02     0.16  -0.10   0.03    -0.14   0.10  -0.02
    37   1     0.16  -0.09   0.00    -0.25   0.13   0.00     0.20  -0.11  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1049.6630              1049.7303              1049.9257
 Red. masses --      3.1624                 3.1638                 3.1584
 Frc consts  --      2.0529                 2.0541                 2.0513
 IR Inten    --     31.9824                52.0744                55.1355
 RamAct Fr= 1--      1.2670                 1.0066                 0.9841
  Dep-P Fr= 1--      0.4676                 0.5917                 0.6090
  Dep-U Fr= 1--      0.6372                 0.7435                 0.7570
 Alpha2 Fr= 1--      0.0072                 0.0030                 0.0026
 Beta2  Fr= 1--      0.1346                 0.1247                 0.1242
 AlphaG Fr= 1--      0.0439                 0.0191                 0.0154
 Gamma2 Fr= 1--      0.1049                -0.1524                -0.1601
 Delta2 Fr= 1--     -0.8806                -1.2571                -1.3095
 Raman1 Fr= 1--       5.068                  4.027                  3.936
 ROA1   Fr= 1--     -18.111                -54.859                -57.270
 CID1   Fr= 1--      -3.573                -13.624                -14.549
 Raman2 Fr= 1--       1.615                  1.497                  1.490
 ROA2   Fr= 1--       9.562                  6.399                  6.634
 CID2   Fr= 1--       5.921                  4.275                  4.453
 Raman3 Fr= 1--       3.230                  2.994                  2.980
 ROA3   Fr= 1--     -18.111                -54.859                -57.270
 CID3   Fr= 1--      -5.608                -18.325                -19.219
 RC180  Fr= 1--       0.274                  0.487                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.03  -0.01   0.03     0.18  -0.07   0.18
     2   6     0.00  -0.01   0.01    -0.00   0.03  -0.03    -0.02   0.19  -0.18
     3   7     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.11  -0.07   0.07
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00   0.00    -0.02  -0.01  -0.01    -0.10  -0.09  -0.07
     6   7    -0.03   0.01   0.02     0.12  -0.04  -0.07    -0.02   0.01   0.01
     7   6     0.01  -0.04  -0.04    -0.03   0.18   0.17     0.00  -0.03  -0.03
     8   6     0.04   0.02   0.04    -0.15  -0.11  -0.18     0.03   0.02   0.03
     9   7    -0.03   0.01  -0.02     0.12  -0.06   0.07    -0.02   0.01  -0.01
    10   7     0.01  -0.13  -0.07     0.00  -0.03  -0.02    -0.00  -0.01  -0.00
    11   6    -0.17   0.08   0.18    -0.04   0.02   0.04    -0.01   0.00   0.01
    12   6     0.14   0.12  -0.18     0.04   0.03  -0.04     0.01   0.00  -0.00
    13   7     0.02  -0.13   0.07     0.01  -0.03   0.02     0.00  -0.00   0.00
    14   1     0.08   0.02   0.06    -0.27  -0.09  -0.20     0.05   0.02   0.04
    15   1     0.07   0.07   0.05    -0.29  -0.29  -0.21     0.04   0.04   0.04
    16   1     0.03  -0.05  -0.04    -0.13   0.26   0.20     0.01  -0.03  -0.03
    17   1    -0.00  -0.11  -0.05     0.00   0.41   0.21     0.00  -0.07  -0.04
    18   1    -0.22   0.19   0.20    -0.06   0.05   0.06     0.00  -0.00  -0.00
    19   1    -0.40   0.11   0.21    -0.09   0.03   0.05    -0.02   0.00   0.01
    20   1     0.16   0.24  -0.20     0.04   0.05  -0.04     0.01   0.02  -0.01
    21   1     0.36   0.20  -0.21     0.09   0.05  -0.06     0.00   0.00  -0.01
    22   1    -0.00  -0.01   0.01     0.01   0.06  -0.04     0.06   0.29  -0.21
    23   1     0.01  -0.04   0.02    -0.02   0.06  -0.03    -0.11   0.41  -0.22
    24   1    -0.03   0.00  -0.02     0.03  -0.00   0.02     0.30  -0.02   0.21
    25   1    -0.02   0.02  -0.01     0.06  -0.04   0.03     0.36  -0.21   0.22
    26   1    -0.00  -0.01   0.00     0.02   0.02  -0.01     0.11   0.13  -0.07
    27   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01    -0.04  -0.00  -0.08
    28   1    -0.01  -0.01  -0.00     0.02   0.01   0.01     0.15   0.07   0.07
    29   1     0.01   0.00  -0.00     0.01   0.00   0.01    -0.02  -0.04   0.08
    30   1    -0.05   0.16   0.06    -0.01   0.05   0.02    -0.00   0.00   0.00
    31   1    -0.02  -0.04   0.08    -0.01  -0.02   0.03    -0.01   0.01   0.00
    32   1     0.01   0.17  -0.06     0.00   0.04  -0.02    -0.00   0.01  -0.00
    33   1     0.03  -0.04  -0.08     0.01   0.00  -0.02     0.00  -0.02  -0.01
    34   1     0.04  -0.01   0.01    -0.16   0.03  -0.06     0.03  -0.01   0.01
    35   1    -0.02   0.01   0.02     0.02  -0.04  -0.08    -0.02   0.01   0.02
    36   1     0.03  -0.02  -0.02    -0.14   0.09   0.06     0.02  -0.01  -0.01
    37   1     0.00  -0.00  -0.01     0.05   0.01   0.08     0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.3346              1114.5642              1123.4124
 Red. masses --      1.0233                 1.0232                 1.0327
 Frc consts  --      0.7487                 0.7489                 0.7679
 IR Inten    --      1.3660                 1.4127                 0.2303
 RamAct Fr= 1--      0.8121                 0.7802                 0.0067
  Dep-P Fr= 1--      0.7497                 0.7490                 0.5492
  Dep-U Fr= 1--      0.8570                 0.8565                 0.7090
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1160                 0.1114                 0.0008
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0000
 Gamma2 Fr= 1--      1.4622                 1.4361                -0.0020
 Delta2 Fr= 1--      0.3161                 0.2915                 0.0003
 Raman1 Fr= 1--       3.248                  3.121                  0.027
 ROA1   Fr= 1--     150.489                147.190                 -0.182
 CID1   Fr= 1--      46.328                 47.162                 -6.781
 Raman2 Fr= 1--       1.392                  1.337                  0.010
 ROA2   Fr= 1--      32.564                 32.133                 -0.051
 CID2   Fr= 1--      23.396                 24.042                 -5.364
 Raman3 Fr= 1--       2.784                  2.673                  0.019
 ROA3   Fr= 1--     150.489                147.190                 -0.182
 CID3   Fr= 1--      54.060                 55.064                 -9.565
 RC180  Fr= 1--       0.714                  0.713                  0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00  -0.00
     3   7     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01     0.01  -0.00   0.01
     6   7     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.01   0.01
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.02  -0.00   0.01     0.01   0.01   0.01
    10   7    -0.01   0.01   0.01     0.00  -0.01  -0.00    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    13   7    -0.00  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.01
    14   1     0.06   0.03   0.05    -0.24  -0.08  -0.18    -0.19  -0.06  -0.14
    15   1    -0.03  -0.01  -0.03     0.13   0.03   0.12     0.09  -0.00   0.09
    16   1    -0.04   0.06   0.05     0.11  -0.23  -0.19     0.09  -0.18  -0.14
    17   1     0.02  -0.03  -0.03    -0.07   0.12   0.12    -0.07   0.06   0.09
    18   1     0.20  -0.17  -0.19    -0.05   0.05   0.05     0.14  -0.13  -0.13
    19   1    -0.09   0.10   0.12     0.02  -0.03  -0.04    -0.04   0.08   0.08
    20   1     0.15   0.22  -0.19    -0.05  -0.05   0.05     0.10   0.16  -0.13
    21   1    -0.07  -0.12   0.12     0.02   0.03  -0.03    -0.02  -0.09   0.09
    22   1    -0.04  -0.19   0.13    -0.03  -0.19   0.14     0.04   0.19  -0.14
    23   1     0.03   0.10  -0.09     0.02   0.09  -0.09    -0.05  -0.08   0.09
    24   1     0.19  -0.02   0.14     0.19  -0.01   0.13    -0.20   0.01  -0.14
    25   1    -0.10   0.00  -0.09    -0.10  -0.01  -0.09     0.09   0.03   0.09
    26   1    -0.08  -0.09  -0.06    -0.07  -0.08  -0.06     0.10   0.11   0.07
    27   1     0.21   0.17   0.02     0.22   0.18   0.02    -0.20  -0.16  -0.02
    28   1     0.10   0.05  -0.06     0.11   0.05  -0.06    -0.14  -0.07   0.07
    29   1    -0.23  -0.16   0.02    -0.22  -0.15   0.02     0.20   0.15  -0.02
    30   1     0.05  -0.15   0.08    -0.02   0.05  -0.02     0.04  -0.14   0.07
    31   1    -0.06   0.38  -0.03     0.02  -0.10   0.01    -0.04   0.25  -0.02
    32   1     0.01   0.16   0.08    -0.00  -0.04  -0.02     0.01   0.15   0.07
    33   1     0.03  -0.38  -0.03    -0.01   0.12   0.01     0.03  -0.25  -0.02
    34   1     0.03  -0.00  -0.02    -0.16   0.03   0.08    -0.15   0.04   0.07
    35   1    -0.10   0.04   0.00     0.35  -0.13  -0.03     0.24  -0.09  -0.02
    36   1    -0.04   0.03  -0.02     0.13  -0.09   0.08     0.13  -0.08   0.07
    37   1     0.08  -0.04   0.01    -0.34   0.16  -0.03    -0.24   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.3853              1171.8478              1187.6953
 Red. masses --      1.0739                 1.0737                 1.0527
 Frc consts  --      0.8682                 0.8687                 0.8749
 IR Inten    --     69.9888                70.5754                 0.0119
 RamAct Fr= 1--      8.0678                 8.4030                13.4334
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3300
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4962
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1257
 Beta2  Fr= 1--      1.1525                 1.2004                 1.1110
 AlphaG Fr= 1--      0.0000                 0.0001                 0.3982
 Gamma2 Fr= 1--     -5.2288                -5.4621                 0.3199
 Delta2 Fr= 1--      2.8383                 2.8308                -6.6899
 Raman1 Fr= 1--      32.271                 33.612                 53.733
 ROA1   Fr= 1--    -411.140               -433.779               -183.362
 CID1   Fr= 1--     -12.740                -12.906                 -3.412
 Raman2 Fr= 1--      13.830                 14.405                 13.332
 ROA2   Fr= 1--    -148.197               -153.738                 61.197
 CID2   Fr= 1--     -10.715                -10.673                  4.590
 Raman3 Fr= 1--      27.661                 28.809                 26.665
 ROA3   Fr= 1--    -411.140               -433.779               -183.362
 CID3   Fr= 1--     -14.864                -15.057                 -6.877
 RC180  Fr= 1--       0.714                  0.714                 -0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.04  -0.01  -0.00     0.02   0.00  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00  -0.00   0.00    -0.02  -0.04   0.00     0.01   0.02   0.00
     6   7     0.03   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.01
     9   7     0.02  -0.02  -0.00    -0.01   0.02   0.00    -0.01   0.02  -0.00
    10   7    -0.01  -0.04   0.00    -0.01  -0.02   0.00    -0.01  -0.02  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    13   7     0.02  -0.03  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    14   1    -0.01  -0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    15   1     0.19   0.07   0.17    -0.15  -0.07  -0.12    -0.18  -0.05  -0.17
    16   1    -0.02   0.02   0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    17   1     0.08  -0.21  -0.17    -0.06   0.13   0.12    -0.09   0.17   0.17
    18   1    -0.01   0.02   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    19   1     0.19  -0.15  -0.19     0.08  -0.07  -0.09     0.14  -0.13  -0.17
    20   1     0.01   0.01  -0.01     0.01   0.02  -0.01     0.01   0.03  -0.01
    21   1    -0.14  -0.19   0.19    -0.08  -0.09   0.09    -0.10  -0.16   0.16
    22   1     0.01   0.01  -0.01     0.01   0.02  -0.01    -0.01  -0.02   0.01
    23   1     0.00  -0.03   0.02    -0.04  -0.26   0.21     0.05   0.19  -0.17
    24   1    -0.01  -0.00  -0.00     0.02   0.00   0.01    -0.03  -0.01  -0.01
    25   1    -0.01  -0.01  -0.02    -0.26   0.03  -0.21     0.20  -0.01   0.17
    26   1     0.03   0.02  -0.01     0.29   0.27  -0.01    -0.20  -0.20  -0.01
    27   1     0.00   0.01  -0.00     0.11   0.21  -0.04    -0.07  -0.14   0.03
    28   1     0.03   0.01  -0.01     0.34   0.21   0.01    -0.24  -0.14   0.01
    29   1     0.03   0.01   0.00     0.23   0.05   0.04    -0.15  -0.03  -0.03
    30   1    -0.08   0.35   0.01    -0.04   0.17  -0.01    -0.07   0.26  -0.01
    31   1    -0.11   0.18   0.04    -0.06   0.10   0.02    -0.08   0.12   0.03
    32   1    -0.01   0.36  -0.00    -0.01   0.18  -0.01    -0.00   0.27   0.01
    33   1     0.06   0.21  -0.04     0.03   0.09  -0.02     0.05   0.14  -0.03
    34   1    -0.31   0.09  -0.00     0.22  -0.07   0.01     0.27  -0.08  -0.01
    35   1    -0.20  -0.00  -0.04     0.13   0.01   0.02     0.15   0.01   0.03
    36   1    -0.29   0.15   0.01     0.20  -0.11   0.00     0.23  -0.13   0.01
    37   1    -0.13   0.14   0.03     0.10  -0.10  -0.02     0.10  -0.11  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1222.9506              1223.6111              1247.0553
 Red. masses --      1.2501                 1.2490                 1.2494
 Frc consts  --      1.1015                 1.1018                 1.1447
 IR Inten    --     10.8961                11.2000                13.2719
 RamAct Fr= 1--      8.0982                 7.8609                 0.0133
  Dep-P Fr= 1--      0.7494                 0.7500                 0.3333
  Dep-U Fr= 1--      0.8568                 0.8571                 0.5000
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      1.1564                 1.1230                 0.0011
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0002
 Gamma2 Fr= 1--      3.5788                 3.6947                -0.0013
 Delta2 Fr= 1--      0.3570                 0.5146                -0.0041
 Raman1 Fr= 1--      32.393                 31.444                  0.053
 ROA1   Fr= 1--     354.994                371.161                 -0.253
 CID1   Fr= 1--      10.959                 11.804                 -4.753
 Raman2 Fr= 1--      13.877                 13.476                  0.013
 ROA2   Fr= 1--      83.036                 84.556                  0.003
 CID2   Fr= 1--       5.984                  6.275                  0.211
 Raman3 Fr= 1--      27.753                 26.951                  0.027
 ROA3   Fr= 1--     354.994                371.161                 -0.253
 CID3   Fr= 1--      12.791                 13.772                 -9.506
 RC180  Fr= 1--       0.714                  0.714                 -0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.02  -0.04   0.01     0.02   0.03  -0.00
     2   6     0.00  -0.01  -0.01     0.04   0.01   0.01    -0.03  -0.01  -0.00
     3   7     0.00   0.00   0.01    -0.06  -0.01  -0.01     0.05   0.00   0.00
     4  45    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.00  -0.00  -0.00     0.02   0.06  -0.02    -0.02  -0.05   0.00
     6   7    -0.06  -0.01  -0.01     0.03   0.00   0.01     0.05   0.01   0.00
     7   6     0.04   0.00   0.01    -0.02   0.01  -0.01    -0.03  -0.00  -0.00
     8   6    -0.03   0.02   0.01     0.01  -0.02   0.00     0.02  -0.02  -0.00
     9   7     0.04  -0.04  -0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    10   7    -0.02  -0.05   0.01    -0.01  -0.03   0.01    -0.02  -0.04   0.00
    11   6     0.01   0.04  -0.00     0.00   0.02  -0.01     0.01   0.03  -0.00
    12   6     0.01  -0.03  -0.01     0.02  -0.02   0.00     0.02  -0.03  -0.00
    13   7    -0.03   0.04   0.02    -0.02   0.03   0.00    -0.03   0.04   0.00
    14   1     0.04  -0.00   0.01    -0.02  -0.01  -0.00     0.03  -0.00   0.03
    15   1     0.05   0.10   0.06    -0.04  -0.03  -0.05    -0.07  -0.09  -0.07
    16   1    -0.02   0.04   0.01     0.02  -0.01  -0.00    -0.02   0.01   0.02
    17   1     0.02   0.10   0.07    -0.03  -0.06  -0.01    -0.02  -0.11  -0.06
    18   1     0.03  -0.03  -0.01     0.01  -0.03  -0.00    -0.01   0.03   0.02
    19   1     0.09  -0.01  -0.07     0.07   0.02  -0.02     0.11  -0.02  -0.06
    20   1     0.01   0.04  -0.01     0.02   0.02  -0.01    -0.00  -0.03   0.03
    21   1     0.11   0.02  -0.05     0.05   0.03  -0.06     0.11   0.04  -0.06
    22   1     0.01  -0.00   0.00    -0.02  -0.05   0.01    -0.02  -0.02   0.02
    23   1    -0.03   0.00   0.02     0.06  -0.10   0.07    -0.04   0.11  -0.07
    24   1    -0.01   0.01  -0.00     0.05   0.01   0.01     0.02   0.01   0.02
    25   1    -0.01  -0.02  -0.02     0.08  -0.09   0.07    -0.09   0.07  -0.07
    26   1     0.02   0.02   0.03    -0.37  -0.34  -0.00     0.25   0.23   0.02
    27   1    -0.01   0.00  -0.01    -0.06  -0.20   0.06     0.06   0.17  -0.05
    28   1    -0.02  -0.02  -0.03     0.42   0.27  -0.01    -0.29  -0.18   0.02
    29   1    -0.02  -0.01   0.00     0.21   0.00   0.06    -0.18  -0.01  -0.05
    30   1     0.09  -0.42  -0.01     0.06  -0.27   0.03     0.07  -0.32   0.02
    31   1     0.12  -0.14  -0.05     0.08  -0.08  -0.04     0.11  -0.13  -0.05
    32   1    -0.02   0.42   0.02    -0.02   0.28  -0.02    -0.01   0.33   0.02
    33   1     0.09   0.15  -0.05     0.05   0.11  -0.03     0.07   0.16  -0.05
    34   1     0.42  -0.13  -0.02    -0.22   0.07  -0.02    -0.31   0.10   0.02
    35   1     0.18   0.05   0.06    -0.11  -0.02  -0.02    -0.17  -0.03  -0.05
    36   1    -0.40   0.21   0.01     0.21  -0.11   0.03     0.29  -0.16   0.02
    37   1    -0.10   0.16   0.05     0.04  -0.08  -0.03     0.10  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.4991              1291.9223              1299.8811
 Red. masses --      1.3917                 1.3912                 1.3676
 Frc consts  --      1.3677                 1.3681                 1.3615
 IR Inten    --      0.9562                 0.9315                 0.0001
 RamAct Fr= 1--      0.3998                 0.3911                 7.9362
  Dep-P Fr= 1--      0.7496                 0.7488                 0.2662
  Dep-U Fr= 1--      0.8569                 0.8564                 0.4205
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0898
 Beta2  Fr= 1--      0.0571                 0.0558                 0.5561
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0891
 Gamma2 Fr= 1--     -0.3654                -0.3721                -3.1657
 Delta2 Fr= 1--     -0.2280                -0.3292                 0.5687
 Raman1 Fr= 1--       1.599                  1.565                 31.745
 ROA1   Fr= 1--     -42.370                -46.259               -285.705
 CID1   Fr= 1--     -26.497                -29.566                 -9.000
 Raman2 Fr= 1--       0.685                  0.670                  6.674
 ROA2   Fr= 1--      -6.945                 -6.297                -80.526
 CID2   Fr= 1--     -10.137                 -9.399                -12.066
 Raman3 Fr= 1--       1.370                  1.340                 13.348
 ROA3   Fr= 1--     -42.370                -46.259               -285.705
 CID3   Fr= 1--     -30.923                -34.525                -21.405
 RC180  Fr= 1--       0.714                  0.713                 -0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.04  -0.05  -0.07    -0.03   0.04   0.05
     2   6    -0.01   0.02   0.02    -0.03   0.05   0.07     0.03  -0.04  -0.05
     3   7     0.01  -0.01  -0.01    -0.00  -0.03  -0.02    -0.00   0.02   0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01  -0.00   0.01    -0.03   0.01   0.02     0.02  -0.01  -0.01
     6   7     0.00  -0.02   0.01    -0.01   0.03  -0.01    -0.00   0.02  -0.01
     7   6     0.01   0.04  -0.05    -0.01  -0.05   0.06    -0.02  -0.05   0.05
     8   6    -0.02  -0.04   0.05     0.02   0.05  -0.06     0.02   0.05  -0.05
     9   7     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.02  -0.01   0.01
    10   7     0.03  -0.01   0.02     0.00  -0.01   0.00     0.02  -0.01   0.01
    11   6    -0.06  -0.00  -0.07    -0.01   0.00  -0.01    -0.05  -0.00  -0.05
    12   6     0.06   0.01   0.07     0.01   0.00   0.01     0.05   0.01   0.05
    13   7    -0.03  -0.02  -0.02    -0.01   0.00  -0.00    -0.02  -0.01  -0.01
    14   1    -0.04  -0.17  -0.10     0.04   0.21   0.12     0.08   0.20   0.13
    15   1    -0.02   0.07  -0.02     0.03  -0.07   0.02    -0.02  -0.08  -0.02
    16   1     0.10   0.15   0.10    -0.11  -0.18  -0.12    -0.08  -0.19  -0.13
    17   1    -0.06  -0.02   0.02     0.07   0.04  -0.02     0.04   0.07   0.02
    18   1    -0.26  -0.08   0.15    -0.05  -0.01   0.03    -0.20  -0.03   0.13
    19   1     0.07   0.08   0.03     0.03   0.02   0.00     0.08   0.02  -0.01
    20   1     0.27  -0.01  -0.16     0.05  -0.01  -0.03     0.21   0.02  -0.13
    21   1    -0.09   0.06  -0.03    -0.00   0.01  -0.01    -0.08   0.00   0.01
    22   1    -0.07   0.06  -0.05    -0.19   0.18  -0.15     0.13  -0.16   0.13
    23   1     0.03   0.00  -0.01     0.10  -0.02  -0.03    -0.06   0.06  -0.01
    24   1     0.05  -0.08   0.05     0.12  -0.23   0.15    -0.12   0.17  -0.13
    25   1    -0.00   0.04   0.01     0.01   0.10   0.03     0.04  -0.07   0.01
    26   1    -0.02  -0.03  -0.04    -0.15  -0.15  -0.11     0.10   0.11   0.09
    27   1     0.11   0.09   0.02     0.28   0.20   0.08    -0.20  -0.14  -0.05
    28   1    -0.09  -0.05   0.04    -0.16  -0.09   0.11     0.13   0.07  -0.09
    29   1     0.08   0.07  -0.03     0.28   0.22  -0.08    -0.19  -0.16   0.05
    30   1     0.06  -0.20   0.12     0.02  -0.07   0.02     0.04  -0.14   0.09
    31   1    -0.04   0.37  -0.08    -0.00   0.05  -0.02    -0.02   0.24  -0.05
    32   1    -0.01  -0.21  -0.12    -0.00  -0.01  -0.02    -0.00  -0.15  -0.09
    33   1    -0.06   0.36   0.08    -0.01   0.09   0.01    -0.04   0.24   0.05
    34   1     0.16  -0.04  -0.08    -0.13   0.03   0.09    -0.15   0.04   0.09
    35   1    -0.21   0.10   0.05     0.27  -0.12  -0.06     0.23  -0.10  -0.05
    36   1     0.10  -0.06   0.08    -0.16   0.10  -0.09    -0.13   0.08  -0.09
    37   1    -0.24   0.10  -0.05     0.26  -0.10   0.06     0.23  -0.09   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1330.3753              1330.5205              1343.8680
 Red. masses --      1.1803                 1.1803                 1.1821
 Frc consts  --      1.2309                 1.2311                 1.2578
 IR Inten    --     23.9770                24.2175                 0.0058
 RamAct Fr= 1--      0.9099                 0.9029                 5.0397
  Dep-P Fr= 1--      0.7478                 0.7500                 0.2786
  Dep-U Fr= 1--      0.8557                 0.8571                 0.4358
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0551
 Beta2  Fr= 1--      0.1298                 0.1290                 0.3660
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0348
 Gamma2 Fr= 1--      4.3682                 4.4337                -0.4408
 Delta2 Fr= 1--      2.2650                 2.3130                 1.1131
 Raman1 Fr= 1--       3.640                  3.611                 20.159
 ROA1   Fr= 1--     491.825                499.654                 -6.699
 CID1   Fr= 1--     135.129                138.354                 -0.332
 Raman2 Fr= 1--       1.557                  1.548                  4.392
 ROA2   Fr= 1--      86.717                 87.905                -19.485
 CID2   Fr= 1--      55.686                 56.796                 -4.436
 Raman3 Fr= 1--       3.114                  3.095                  8.785
 ROA3   Fr= 1--     491.825                499.654                 -6.699
 CID3   Fr= 1--     157.916                161.416                 -0.763
 RC180  Fr= 1--       0.711                  0.714                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.01   0.03  -0.02     0.01  -0.02   0.02
     2   6     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.02   0.01  -0.02
     3   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.03     0.03   0.02   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.02  -0.02   0.02    -0.02  -0.03   0.03     0.02   0.02  -0.02
     6   7     0.02  -0.00   0.01    -0.04   0.01  -0.03    -0.03   0.01  -0.02
     7   6    -0.01  -0.02  -0.01     0.02   0.03   0.02     0.01   0.02   0.02
     8   6     0.00   0.02   0.01    -0.01  -0.03  -0.02    -0.00  -0.02  -0.02
     9   7     0.02  -0.01  -0.02    -0.03   0.02   0.03    -0.03   0.01   0.02
    10   7    -0.00  -0.04   0.03     0.00  -0.00   0.00     0.00  -0.03   0.02
    11   6     0.04   0.01  -0.02     0.00   0.00  -0.00     0.02   0.01  -0.02
    12   6    -0.04   0.00   0.02    -0.00  -0.00  -0.00    -0.02   0.00   0.02
    13   7     0.01  -0.04  -0.03     0.00   0.00   0.00     0.01  -0.03  -0.02
    14   1     0.14   0.06   0.11    -0.18  -0.10  -0.16    -0.15  -0.06  -0.12
    15   1    -0.17  -0.03  -0.14     0.24   0.03   0.21     0.19   0.02   0.16
    16   1     0.02  -0.11  -0.09    -0.07   0.21   0.17    -0.07   0.15   0.12
    17   1    -0.08   0.10   0.12     0.15  -0.21  -0.22     0.12  -0.15  -0.16
    18   1     0.22  -0.14  -0.19     0.01  -0.02  -0.01     0.12  -0.11  -0.12
    19   1    -0.18   0.23   0.25    -0.02   0.02   0.02    -0.11   0.15   0.16
    20   1    -0.18  -0.19   0.19    -0.00   0.02  -0.00    -0.09  -0.13   0.12
    21   1     0.12   0.27  -0.25    -0.01  -0.01   0.01     0.07   0.17  -0.16
    22   1     0.01  -0.11   0.08    -0.02  -0.23   0.17     0.03   0.16  -0.12
    23   1     0.05   0.11  -0.11     0.10   0.25  -0.23    -0.08  -0.18   0.16
    24   1    -0.14   0.02  -0.10    -0.21   0.06  -0.17     0.16  -0.02   0.12
    25   1     0.16   0.01   0.13     0.25   0.03   0.22    -0.19  -0.03  -0.16
    26   1     0.06   0.05  -0.03     0.10   0.08  -0.03    -0.09  -0.07   0.04
    27   1     0.07   0.10   0.01     0.11   0.15   0.01    -0.13  -0.17  -0.01
    28   1     0.05   0.03   0.00     0.11   0.08   0.04    -0.09  -0.06  -0.04
    29   1     0.08   0.03  -0.01     0.19   0.07  -0.01    -0.21  -0.08   0.01
    30   1    -0.02   0.15   0.04    -0.00  -0.01  -0.01    -0.02   0.11   0.04
    31   1    -0.10   0.20  -0.01     0.01  -0.01   0.00    -0.09   0.20  -0.01
    32   1    -0.01   0.14  -0.04    -0.00   0.01  -0.02    -0.01   0.11  -0.04
    33   1     0.04   0.22   0.01     0.01   0.02   0.00     0.03   0.22   0.01
    34   1    -0.06   0.02  -0.01     0.12  -0.05   0.04     0.10  -0.04   0.04
    35   1    -0.10   0.01   0.01     0.20  -0.02  -0.01     0.22  -0.03  -0.01
    36   1    -0.08   0.03   0.03     0.11  -0.05  -0.03     0.10  -0.05  -0.04
    37   1    -0.10   0.09  -0.01     0.14  -0.12   0.01     0.17  -0.14   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.4951              1347.6581              1352.1210
 Red. masses --      1.1874                 1.1875                 1.2062
 Frc consts  --      1.2702                 1.2707                 1.2993
 IR Inten    --     11.8610                12.0372                 2.5903
 RamAct Fr= 1--     13.7804                14.0385                 0.0013
  Dep-P Fr= 1--      0.7499                 0.7500                 0.6511
  Dep-U Fr= 1--      0.8570                 0.8571                 0.7887
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.9684                 2.0055                 0.0002
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -9.3751                -9.0122                -0.0004
 Delta2 Fr= 1--     -0.3840                -0.1501                -0.0006
 Raman1 Fr= 1--      55.121                 56.154                  0.005
 ROA1   Fr= 1--    -912.299               -869.978                 -0.057
 CID1   Fr= 1--     -16.551                -15.493                -11.067
 Raman2 Fr= 1--      23.621                 24.066                  0.002
 ROA2   Fr= 1--    -221.931               -215.094                 -0.004
 CID2   Fr= 1--      -9.396                 -8.938                 -1.973
 Raman3 Fr= 1--      47.242                 48.132                  0.004
 ROA3   Fr= 1--    -912.299               -869.978                 -0.057
 CID3   Fr= 1--     -19.311                -18.075                -14.032
 RC180  Fr= 1--       0.714                  0.714                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.01   0.02   0.04    -0.01  -0.01  -0.04
     2   6    -0.02  -0.00   0.03    -0.02  -0.01   0.04     0.01   0.01  -0.04
     3   7    -0.01  -0.02  -0.02    -0.01  -0.02  -0.03     0.01   0.02   0.02
     4  45     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7     0.02   0.00  -0.02     0.02   0.00  -0.02    -0.02  -0.01   0.02
     6   7    -0.00   0.01  -0.01     0.02  -0.02   0.03     0.02  -0.02   0.02
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.05     0.02  -0.01  -0.04
     8   6     0.01  -0.00   0.02    -0.01   0.02  -0.04    -0.01   0.01  -0.04
     9   7     0.01   0.00  -0.01    -0.03  -0.01   0.03    -0.03   0.00   0.02
    10   7     0.02  -0.02   0.03    -0.00   0.00  -0.01     0.01  -0.02   0.02
    11   6    -0.01  -0.02  -0.05     0.00   0.01   0.01     0.00  -0.02  -0.04
    12   6    -0.01   0.02  -0.05    -0.00  -0.00   0.01    -0.00   0.02  -0.04
    13   7     0.01   0.03   0.03    -0.00  -0.01  -0.01     0.00   0.03   0.02
    14   1     0.08  -0.00   0.05    -0.17   0.03  -0.10    -0.11   0.03  -0.06
    15   1    -0.11  -0.04  -0.09     0.28   0.10   0.23     0.23   0.08   0.19
    16   1    -0.04   0.02   0.02     0.15  -0.11  -0.11     0.10  -0.06  -0.06
    17   1     0.04  -0.08  -0.07    -0.13   0.28   0.24    -0.10   0.22   0.19
    18   1     0.07  -0.18  -0.11     0.00   0.02   0.01     0.03  -0.10  -0.06
    19   1    -0.24   0.21   0.25     0.04  -0.03  -0.04    -0.18   0.15   0.18
    20   1     0.02   0.19  -0.11    -0.02  -0.06   0.04     0.00   0.11  -0.06
    21   1    -0.18  -0.26   0.25     0.05   0.07  -0.07    -0.14  -0.19   0.18
    22   1    -0.08  -0.08   0.06    -0.09  -0.13   0.09     0.08   0.08  -0.06
    23   1     0.03   0.20  -0.15     0.05   0.25  -0.20    -0.04  -0.23   0.18
    24   1     0.13   0.05   0.08     0.12   0.06   0.08    -0.09  -0.05  -0.06
    25   1    -0.22   0.02  -0.18    -0.23   0.02  -0.18     0.24  -0.02   0.18
    26   1     0.01   0.02   0.06     0.03   0.04   0.07     0.01  -0.01  -0.07
    27   1    -0.16  -0.15  -0.04    -0.17  -0.15  -0.05     0.16   0.16   0.03
    28   1    -0.05  -0.02   0.06    -0.03  -0.01   0.07     0.01  -0.01  -0.07
    29   1     0.16   0.10  -0.04     0.21   0.13  -0.05    -0.20  -0.11   0.03
    30   1    -0.02   0.06  -0.09     0.00   0.01   0.02    -0.01  -0.00  -0.07
    31   1     0.06  -0.29   0.06    -0.02   0.08  -0.01     0.06  -0.22   0.03
    32   1    -0.01  -0.05  -0.09     0.00   0.03   0.01    -0.01  -0.00  -0.07
    33   1    -0.01   0.30   0.06     0.01  -0.04  -0.01     0.01   0.22   0.03
    34   1    -0.03   0.01   0.03     0.05  -0.00  -0.08     0.01   0.01  -0.07
    35   1     0.07  -0.03  -0.02    -0.28   0.09   0.06    -0.23   0.06   0.03
    36   1    -0.00  -0.00   0.03    -0.05   0.04  -0.08     0.00   0.01  -0.07
    37   1    -0.10   0.06  -0.02     0.25  -0.13   0.06     0.20  -0.12   0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5914              1404.6565              1408.2922
 Red. masses --      1.2727                 1.2726                 1.2568
 Frc consts  --      1.4793                 1.4794                 1.4686
 IR Inten    --      0.0667                 0.0785                 3.1039
 RamAct Fr= 1--      2.9720                 2.9330                 0.0016
  Dep-P Fr= 1--      0.7500                 0.7499                 0.3204
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4853
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4246                 0.4190                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      3.2703                 3.0807                -0.0025
 Delta2 Fr= 1--      1.7656                 1.6437                -0.0008
 Raman1 Fr= 1--      11.888                 11.732                  0.007
 ROA1   Fr= 1--     370.453                348.342                 -0.270
 CID1   Fr= 1--      31.162                 29.692                -41.307
 Raman2 Fr= 1--       5.095                  5.028                  0.002
 ROA2   Fr= 1--      64.363                 60.786                 -0.054
 CID2   Fr= 1--      12.633                 12.090                -34.249
 Raman3 Fr= 1--      10.190                 10.055                  0.003
 ROA3   Fr= 1--     370.453                348.342                 -0.270
 CID3   Fr= 1--      36.356                 34.642                -85.109
 RC180  Fr= 1--       0.714                  0.714                 -0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.08   0.02  -0.03    -0.05   0.01  -0.02
     2   6    -0.00   0.01  -0.00     0.00   0.08  -0.03    -0.00   0.06  -0.02
     3   7     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.01  -0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.01  -0.03  -0.01     0.01  -0.02  -0.01
     6   7     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
     7   6     0.02  -0.06  -0.02    -0.01   0.05   0.02     0.01  -0.05  -0.02
     8   6    -0.05  -0.03  -0.02     0.04   0.03   0.02    -0.05  -0.03  -0.02
     9   7     0.00   0.02  -0.01    -0.00  -0.02   0.00     0.00   0.02  -0.01
    10   7     0.02   0.01   0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
    11   6    -0.06   0.04   0.03    -0.02   0.02   0.01     0.05  -0.03  -0.02
    12   6    -0.05  -0.05   0.02    -0.02  -0.02   0.01     0.04   0.04  -0.02
    13   7     0.02  -0.00   0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    14   1     0.25   0.06   0.20    -0.20  -0.05  -0.16     0.23   0.05   0.19
    15   1     0.17   0.11   0.15    -0.14  -0.09  -0.11     0.14   0.09   0.12
    16   1    -0.13   0.22   0.21     0.11  -0.18  -0.16    -0.13   0.21   0.19
    17   1    -0.04   0.21   0.14     0.04  -0.16  -0.12    -0.03   0.16   0.12
    18   1     0.22  -0.22  -0.24     0.09  -0.09  -0.10    -0.16   0.18   0.19
    19   1     0.22  -0.11  -0.17     0.08  -0.05  -0.07    -0.15   0.07   0.12
    20   1     0.15   0.27  -0.24     0.06   0.10  -0.10    -0.11  -0.21   0.19
    21   1     0.18   0.16  -0.17     0.08   0.07  -0.07    -0.12  -0.11   0.12
    22   1    -0.01  -0.04   0.04    -0.09  -0.32   0.26    -0.07  -0.23   0.19
    23   1     0.00  -0.04   0.03     0.01  -0.26   0.18     0.01  -0.17   0.12
    24   1     0.05   0.00   0.04     0.33  -0.00   0.26     0.24   0.01   0.19
    25   1     0.03  -0.01   0.03     0.25  -0.08   0.18     0.16  -0.05   0.12
    26   1     0.01   0.01   0.01     0.10   0.09   0.05     0.06   0.06   0.05
    27   1    -0.01  -0.01  -0.01    -0.12  -0.07  -0.05    -0.11  -0.08  -0.03
    28   1    -0.02  -0.01   0.01    -0.12  -0.07   0.05    -0.07  -0.04   0.05
    29   1     0.01   0.02  -0.01     0.10   0.09  -0.05     0.11   0.08  -0.03
    30   1    -0.03   0.12  -0.05    -0.01   0.05  -0.02     0.02  -0.08   0.05
    31   1     0.00  -0.12   0.04    -0.00  -0.05   0.02    -0.02   0.13  -0.03
    32   1     0.01  -0.13  -0.05     0.00  -0.05  -0.02    -0.00   0.09   0.05
    33   1    -0.03   0.12   0.05    -0.01   0.05   0.02     0.02  -0.13  -0.03
    34   1    -0.10   0.03   0.04     0.08  -0.03  -0.03    -0.08   0.02   0.05
    35   1     0.09  -0.05  -0.04    -0.07   0.04   0.03     0.12  -0.05  -0.03
    36   1     0.10  -0.05   0.04    -0.08   0.04  -0.03     0.07  -0.04   0.05
    37   1    -0.10   0.03  -0.04     0.08  -0.02   0.03    -0.12   0.05  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.3422              1442.3721              1446.6146
 Red. masses --      1.4490                 1.4494                 1.4617
 Frc consts  --      1.7760                 1.7766                 1.8023
 IR Inten    --      3.2904                 3.2339                 0.0010
 RamAct Fr= 1--      0.4150                 0.3699                 0.7108
  Dep-P Fr= 1--      0.7499                 0.7496                 0.7119
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8317
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      0.0593                 0.0528                 0.0985
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0158
 Gamma2 Fr= 1--     -1.6460                -1.6191                 0.0037
 Delta2 Fr= 1--     -1.1823                -1.1716                -0.3299
 Raman1 Fr= 1--       1.660                  1.480                  2.843
 ROA1   Fr= 1--    -195.851               -192.928                -10.200
 CID1   Fr= 1--    -117.981               -130.397                 -3.588
 Raman2 Fr= 1--       0.711                  0.634                  1.182
 ROA2   Fr= 1--     -30.046                -29.486                  2.728
 CID2   Fr= 1--     -42.236                -46.517                  2.307
 Raman3 Fr= 1--       1.423                  1.268                  2.365
 ROA3   Fr= 1--    -195.851               -192.928                -10.200
 CID3   Fr= 1--    -137.652               -152.180                 -4.314
 RC180  Fr= 1--       0.714                  0.714                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.07   0.05  -0.06    -0.05   0.04  -0.05
     2   6    -0.01   0.02  -0.02     0.03  -0.08   0.06     0.03  -0.06   0.05
     3   7     0.01  -0.01   0.00    -0.03   0.02  -0.00    -0.02   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
     6   7    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.01   0.02  -0.00
     7   6     0.01   0.06   0.04     0.01   0.07   0.05    -0.01  -0.06  -0.04
     8   6    -0.04  -0.05  -0.04    -0.04  -0.05  -0.05     0.04   0.05   0.04
     9   7     0.00   0.02   0.00     0.00   0.02   0.00    -0.00  -0.02   0.00
    10   7     0.03   0.01  -0.00    -0.01  -0.00   0.00     0.02   0.01   0.00
    11   6    -0.09   0.01   0.06     0.02  -0.00  -0.02    -0.06   0.01   0.04
    12   6     0.08   0.04  -0.06    -0.02  -0.01   0.02     0.06   0.02  -0.04
    13   7    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.02   0.00  -0.00
    14   1     0.20   0.11   0.22     0.23   0.10   0.23    -0.20  -0.12  -0.23
    15   1     0.13   0.08   0.06     0.13   0.06   0.08    -0.13  -0.09  -0.06
    16   1     0.09  -0.22  -0.21     0.07  -0.23  -0.23    -0.06   0.22   0.23
    17   1     0.05  -0.13  -0.08     0.04  -0.15  -0.07    -0.03   0.15   0.06
    18   1     0.27  -0.19  -0.31    -0.07   0.03   0.09     0.20  -0.11  -0.23
    19   1     0.17  -0.11  -0.10    -0.06   0.02   0.01     0.14  -0.07  -0.06
    20   1    -0.22  -0.25   0.31     0.05   0.08  -0.07    -0.16  -0.16   0.23
    21   1    -0.14  -0.15   0.10     0.02   0.04  -0.04    -0.12  -0.11   0.06
    22   1    -0.02  -0.10   0.08     0.02   0.32  -0.30    -0.00   0.24  -0.24
    23   1    -0.02  -0.05   0.04     0.01   0.20  -0.09    -0.01   0.16  -0.06
    24   1    -0.08   0.03  -0.09     0.32  -0.06   0.30     0.23  -0.06   0.24
    25   1    -0.06   0.02  -0.02     0.19  -0.04   0.10     0.15  -0.05   0.06
    26   1    -0.04  -0.03  -0.01     0.13   0.10   0.02     0.10   0.08   0.03
    27   1     0.03   0.01   0.01    -0.11  -0.01  -0.07    -0.07  -0.02  -0.04
    28   1    -0.04  -0.03   0.01     0.13   0.10  -0.02     0.10   0.07  -0.03
    29   1     0.01   0.03  -0.02    -0.04  -0.10   0.06    -0.03  -0.06   0.04
    30   1     0.02  -0.17   0.02    -0.01   0.04  -0.00     0.02  -0.12   0.03
    31   1     0.04   0.11  -0.06    -0.02  -0.03   0.02     0.02   0.07  -0.04
    32   1     0.02  -0.16  -0.02    -0.00   0.04   0.01     0.01  -0.12  -0.03
    33   1    -0.07   0.09   0.07     0.01  -0.03  -0.01    -0.03   0.06   0.04
    34   1     0.11  -0.05  -0.01     0.11  -0.05  -0.01    -0.12   0.04   0.03
    35   1    -0.05   0.07   0.05    -0.05   0.06   0.05     0.05  -0.05  -0.04
    36   1     0.11  -0.05   0.01     0.11  -0.05   0.01    -0.11   0.05  -0.03
    37   1    -0.08  -0.01  -0.04    -0.09  -0.02  -0.05     0.07   0.00   0.04
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1503.0039              1503.1437              1503.6059
 Red. masses --      1.0769                 1.0776                 1.0812
 Frc consts  --      1.4333                 1.4345                 1.4402
 IR Inten    --     44.6696                36.1817                 1.6456
 RamAct Fr= 1--      9.4353                12.3867                 1.1004
  Dep-P Fr= 1--      0.7447                 0.6523                 0.6769
  Dep-U Fr= 1--      0.8537                 0.7896                 0.8073
 Alpha2 Fr= 1--      0.0008                 0.0217                 0.0014
 Beta2  Fr= 1--      1.3424                 1.6300                 0.1481
 AlphaG Fr= 1--     -0.0005                -0.0275                -0.0017
 Gamma2 Fr= 1--     -0.8435                 0.5865                 0.5100
 Delta2 Fr= 1--     -1.7033                -1.1705                 0.0956
 Raman1 Fr= 1--      37.741                 49.547                  4.402
 ROA1   Fr= 1--    -135.478                 18.850                 52.019
 CID1   Fr= 1--      -3.590                  0.380                 11.818
 Raman2 Fr= 1--      16.109                 19.560                  1.777
 ROA2   Fr= 1--      -6.617                 23.440                 11.475
 CID2   Fr= 1--      -0.411                  1.198                  6.459
 Raman3 Fr= 1--      32.219                 39.120                  3.553
 ROA3   Fr= 1--    -135.478                 18.850                 52.019
 CID3   Fr= 1--      -4.205                  0.482                 14.639
 RC180  Fr= 1--       0.707                  0.579                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.02  -0.00     0.00  -0.01   0.00
     2   6    -0.05   0.01   0.01     0.04  -0.01  -0.00     0.03  -0.01  -0.00
     3   7    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03  -0.01   0.00    -0.04  -0.02   0.00     0.03   0.02  -0.00
     8   6    -0.00  -0.01  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
    11   6    -0.02  -0.02  -0.00    -0.01  -0.02  -0.01    -0.03  -0.03  -0.00
    12   6    -0.03   0.02  -0.00     0.00  -0.01   0.00    -0.03   0.02  -0.00
    13   7    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.02   0.05   0.05    -0.17   0.16   0.13     0.15  -0.13  -0.10
    15   1     0.00   0.06  -0.04     0.00   0.23  -0.15    -0.00  -0.19   0.13
    16   1     0.29  -0.04   0.12     0.38  -0.03   0.18    -0.24   0.01  -0.12
    17   1     0.18   0.19  -0.18     0.25   0.26  -0.24    -0.15  -0.17   0.15
    18   1     0.06   0.25  -0.13     0.01   0.19  -0.06     0.07   0.34  -0.18
    19   1     0.22   0.12   0.17     0.14   0.08   0.12     0.29   0.16   0.23
    20   1     0.13  -0.26  -0.14    -0.02   0.09   0.01     0.14  -0.27  -0.16
    21   1     0.27  -0.07   0.19    -0.06   0.02  -0.05     0.29  -0.07   0.20
    22   1     0.36   0.14   0.17    -0.31  -0.11  -0.16    -0.23  -0.09  -0.12
    23   1     0.30  -0.18  -0.24    -0.26   0.16   0.21    -0.20   0.12   0.16
    24   1    -0.03  -0.09   0.08     0.10   0.17  -0.11     0.04   0.08  -0.06
    25   1     0.03  -0.10  -0.07    -0.05   0.18   0.13    -0.02   0.09   0.06
    26   1     0.01   0.01   0.02     0.01   0.00  -0.01    -0.01  -0.02  -0.02
    27   1     0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01   0.01  -0.01
    28   1     0.02   0.01  -0.01    -0.00  -0.00  -0.00     0.02   0.01  -0.01
    29   1    -0.01   0.01  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    30   1     0.00  -0.02  -0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
    31   1    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.01   0.00  -0.01
    32   1    -0.00   0.01  -0.01     0.00   0.03   0.02    -0.01  -0.02  -0.02
    33   1    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    34   1     0.02  -0.01  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    35   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    36   1     0.01  -0.01   0.02    -0.01  -0.00   0.02    -0.00   0.01  -0.01
    37   1    -0.00   0.01   0.00    -0.01   0.01   0.00    -0.00  -0.01  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.0513              1504.4687              1504.7975
 Red. masses --      1.0782                 1.0843                 1.0843
 Frc consts  --      1.4371                 1.4461                 1.4466
 IR Inten    --      5.4559                 4.2638                 1.0395
 RamAct Fr= 1--     16.1643                 0.8676                 2.6305
  Dep-P Fr= 1--      0.3191                 0.6694                 0.6783
  Dep-U Fr= 1--      0.4838                 0.8019                 0.8083
 Alpha2 Fr= 1--      0.1564                 0.0012                 0.0033
 Beta2  Fr= 1--      1.3035                 0.1160                 0.3544
 AlphaG Fr= 1--     -0.2074                -0.0017                -0.0032
 Gamma2 Fr= 1--     -2.3761                 2.5791                 3.8829
 Delta2 Fr= 1--     -0.6881                 1.2506                 1.5112
 Raman1 Fr= 1--      64.657                  3.471                 10.522
 ROA1   Fr= 1--    -250.126                287.616                421.123
 CID1   Fr= 1--      -3.868                 82.874                 40.023
 Raman2 Fr= 1--      15.642                  1.392                  4.252
 ROA2   Fr= 1--     -51.522                 51.894                 81.101
 CID2   Fr= 1--      -3.294                 37.291                 19.072
 Raman3 Fr= 1--      31.283                  2.783                  8.505
 ROA3   Fr= 1--    -250.126                287.616                421.123
 CID3   Fr= 1--      -7.996                103.342                 49.515
 RC180  Fr= 1--      -0.032                  0.604                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01
     2   6    -0.01  -0.01   0.01    -0.02   0.00   0.00    -0.02  -0.00   0.01
     3   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     6   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.03   0.00  -0.01     0.03   0.01  -0.00    -0.02  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.01  -0.02   0.00    -0.02   0.04  -0.00
     9   7     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.02   0.01    -0.03  -0.04  -0.01     0.00   0.00   0.00
    12   6    -0.02   0.02  -0.01     0.04  -0.03   0.01     0.01  -0.01   0.00
    13   7    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    14   1    -0.34   0.24   0.15    -0.14   0.09   0.05     0.28  -0.21  -0.14
    15   1     0.01   0.36  -0.25     0.01   0.14  -0.09    -0.02  -0.31   0.21
    16   1    -0.22   0.06  -0.05    -0.23   0.04  -0.09     0.13  -0.04   0.03
    17   1    -0.13  -0.13   0.13    -0.14  -0.16   0.14     0.07   0.09  -0.07
    18   1    -0.00  -0.16   0.04     0.03   0.40  -0.14    -0.01  -0.04   0.02
    19   1    -0.12  -0.06  -0.09     0.31   0.16   0.24    -0.03  -0.02  -0.03
    20   1     0.08  -0.24  -0.09    -0.13   0.38   0.13    -0.03   0.07   0.04
    21   1     0.21  -0.05   0.15    -0.34   0.07  -0.23    -0.07   0.02  -0.05
    22   1     0.10   0.07   0.01     0.18   0.07   0.08     0.18   0.11   0.05
    23   1     0.07  -0.04  -0.06     0.15  -0.09  -0.12     0.14  -0.10  -0.11
    24   1     0.22   0.26  -0.12     0.06   0.05  -0.02     0.31   0.38  -0.19
    25   1    -0.08   0.28   0.21    -0.02   0.06   0.04    -0.13   0.42   0.30
    26   1     0.02   0.03   0.02     0.01   0.01   0.02    -0.00  -0.00   0.02
    27   1     0.01  -0.02   0.01     0.01  -0.01   0.01     0.01  -0.01   0.00
    28   1     0.03   0.01  -0.03    -0.01  -0.01  -0.00     0.02   0.00  -0.04
    29   1    -0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.02   0.02  -0.01
    30   1     0.01  -0.02   0.02    -0.01   0.01  -0.03     0.00  -0.01   0.00
    31   1    -0.02  -0.00   0.00     0.02  -0.00  -0.01    -0.00   0.00   0.00
    32   1    -0.01  -0.03  -0.03     0.00   0.01   0.03     0.00   0.01   0.01
    33   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    34   1    -0.03   0.00   0.04     0.01  -0.00   0.01     0.01   0.00  -0.03
    35   1     0.01   0.02   0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.01
    36   1    -0.03   0.02  -0.03    -0.01   0.01  -0.02    -0.01   0.01   0.01
    37   1    -0.01  -0.02  -0.01    -0.00  -0.02  -0.01    -0.00   0.01  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1647.3931              1656.8081              1657.1609
 Red. masses --      1.0762                 1.0806                 1.0807
 Frc consts  --      1.7208                 1.7477                 1.7486
 IR Inten    --    228.3455                 5.4145                 5.2090
 RamAct Fr= 1--      0.0035                 4.9481                 5.0762
  Dep-P Fr= 1--      0.6913                 0.7499                 0.7497
  Dep-U Fr= 1--      0.8175                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0005                 0.7068                 0.7250
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.0026                 2.4146                 2.6297
 Delta2 Fr= 1--      0.0015                 3.4159                 3.5191
 Raman1 Fr= 1--       0.014                 19.792                 20.305
 ROA1   Fr= 1--       0.302                341.108                365.065
 CID1   Fr= 1--      21.822                 17.234                 17.979
 Raman2 Fr= 1--       0.006                  8.482                  8.700
 ROA2   Fr= 1--       0.051                 30.622                 34.961
 CID2   Fr= 1--       9.045                  3.610                  4.018
 Raman3 Fr= 1--       0.011                 16.963                 17.400
 ROA3   Fr= 1--       0.302                341.108                365.065
 CID3   Fr= 1--      26.694                 20.109                 20.980
 RC180  Fr= 1--       0.635                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7     0.00   0.01  -0.02     0.00  -0.00   0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01   0.00  -0.03    -0.02   0.00  -0.04     0.00  -0.00   0.01
     6   7     0.01  -0.01  -0.02    -0.00   0.01   0.02    -0.01   0.01   0.03
     7   6    -0.00   0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   7    -0.01  -0.01  -0.03    -0.01  -0.01  -0.03     0.01   0.00   0.02
    10   7     0.01  -0.01  -0.03    -0.01   0.01   0.03    -0.01   0.01   0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
    13   7     0.01   0.01  -0.03    -0.00  -0.01   0.01     0.01   0.02  -0.04
    14   1     0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.00   0.01
    15   1     0.01  -0.01   0.01     0.02   0.01   0.00    -0.01   0.01  -0.01
    16   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.00  -0.00   0.00
    17   1    -0.02  -0.00   0.01     0.00  -0.02  -0.00     0.01  -0.00  -0.01
    18   1     0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01  -0.02
    19   1     0.01   0.02   0.01     0.01  -0.02  -0.01     0.03  -0.01   0.00
    20   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    21   1     0.01  -0.02   0.01    -0.02   0.00  -0.01    -0.02  -0.02   0.00
    22   1    -0.01   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.01
    23   1    -0.02  -0.00   0.01    -0.01   0.02   0.00    -0.01  -0.02   0.01
    24   1     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.01   0.01  -0.02
    25   1     0.01   0.02   0.01     0.02   0.00   0.01    -0.01   0.01   0.00
    26   1    -0.03   0.08   0.27    -0.03   0.13   0.39     0.01  -0.01  -0.05
    27   1     0.22  -0.14   0.15     0.29  -0.20   0.20    -0.03   0.04  -0.03
    28   1    -0.07   0.05   0.26    -0.00  -0.01  -0.02    -0.11   0.06   0.37
    29   1     0.07  -0.24   0.14    -0.02   0.02  -0.01     0.11  -0.32   0.20
    30   1     0.08  -0.01   0.27    -0.04   0.02  -0.11     0.12  -0.04   0.38
    31   1    -0.22  -0.12   0.14     0.09   0.05  -0.06    -0.32  -0.15   0.20
    32   1     0.08   0.03   0.28    -0.10  -0.07  -0.35    -0.06  -0.03  -0.21
    33   1    -0.26   0.06   0.15     0.32  -0.07  -0.19     0.19  -0.03  -0.11
    34   1    -0.05  -0.07   0.26     0.05   0.05  -0.22     0.08   0.06  -0.27
    35   1     0.01   0.25   0.14    -0.02  -0.20  -0.11    -0.02  -0.25  -0.14
    36   1    -0.01  -0.09   0.27     0.00  -0.11   0.32    -0.01   0.07  -0.19
    37   1     0.17   0.19   0.14     0.19   0.23   0.17    -0.12  -0.13  -0.10
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1660.8726              1666.1424              1666.4758
 Red. masses --      1.0763                 1.0768                 1.0769
 Frc consts  --      1.7492                 1.7612                 1.7621
 IR Inten    --      0.0349                 5.1444                 4.9213
 RamAct Fr= 1--     14.9508                 2.2271                 2.3235
  Dep-P Fr= 1--      0.7484                 0.7499                 0.7491
  Dep-U Fr= 1--      0.8561                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0000
 Beta2  Fr= 1--      2.1332                 0.3181                 0.3317
 AlphaG Fr= 1--     -0.0072                 0.0000                 0.0000
 Gamma2 Fr= 1--    -22.1880                 4.7627                 4.8411
 Delta2 Fr= 1--     -9.8607                 1.5343                 1.5583
 Raman1 Fr= 1--      59.803                  8.908                  9.294
 ROA1   Fr= 1--   -2445.591                506.318                514.615
 CID1   Fr= 1--     -40.894                 56.836                 55.371
 Raman2 Fr= 1--      25.598                  3.818                  3.981
 ROA2   Fr= 1--    -453.627                102.030                103.721
 CID2   Fr= 1--     -17.721                 26.726                 26.057
 Raman3 Fr= 1--      51.196                  7.635                  7.961
 ROA3   Fr= 1--   -2445.591                506.318                514.615
 CID3   Fr= 1--     -47.769                 66.314                 64.642
 RC180  Fr= 1--       0.712                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
     2   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
     3   7    -0.00  -0.01   0.03    -0.00   0.00  -0.00     0.00   0.02  -0.04
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.02    -0.02   0.00  -0.04    -0.00   0.00  -0.00
     6   7     0.01  -0.01  -0.03    -0.00   0.01   0.02     0.01  -0.01  -0.03
     7   6    -0.01  -0.00  -0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.01
     8   6    -0.00   0.01   0.01    -0.00   0.00   0.01     0.00   0.01   0.00
     9   7     0.01   0.01   0.03     0.02   0.01   0.03     0.01   0.00   0.02
    10   7    -0.01   0.01   0.02     0.01  -0.01  -0.03    -0.01   0.01   0.02
    11   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   6     0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.01
    13   7     0.01   0.01  -0.02    -0.00  -0.01   0.02    -0.01  -0.01   0.03
    14   1     0.03  -0.02  -0.01     0.01  -0.00   0.00     0.01  -0.01  -0.01
    15   1    -0.02  -0.03   0.01    -0.02  -0.00  -0.00    -0.02  -0.02   0.01
    16   1     0.03  -0.01   0.01    -0.00   0.00   0.01     0.02  -0.01   0.01
    17   1     0.00   0.03  -0.01     0.01  -0.00  -0.01    -0.00   0.03  -0.00
    18   1    -0.00   0.03  -0.01     0.00  -0.02   0.01    -0.00   0.00   0.01
    19   1     0.03  -0.00   0.01    -0.03   0.01  -0.00    -0.00  -0.01  -0.01
    20   1    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00  -0.02   0.00
    21   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.01   0.02  -0.00
    22   1    -0.03  -0.02  -0.01    -0.01  -0.00  -0.01     0.02   0.01   0.00
    23   1    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.03   0.00
    24   1    -0.02  -0.02   0.01    -0.02  -0.01   0.00     0.00   0.01  -0.01
    25   1     0.02  -0.02  -0.01     0.03  -0.01   0.00    -0.01   0.01   0.01
    26   1    -0.03   0.07   0.26    -0.03   0.13   0.39    -0.01   0.00   0.04
    27   1     0.19  -0.13   0.13     0.29  -0.20   0.20     0.03  -0.03   0.02
    28   1     0.07  -0.06  -0.29     0.00   0.01   0.04    -0.12   0.06   0.39
    29   1    -0.08   0.25  -0.15     0.02  -0.03   0.02     0.11  -0.33   0.20
    30   1     0.08  -0.01   0.26    -0.06   0.03  -0.16    -0.11   0.03  -0.35
    31   1    -0.21  -0.11   0.13     0.13   0.07  -0.08     0.29   0.14  -0.18
    32   1    -0.07  -0.02  -0.24     0.09   0.06   0.30    -0.06  -0.03  -0.21
    33   1     0.21  -0.05  -0.12    -0.27   0.06   0.16     0.19  -0.03  -0.11
    34   1    -0.06  -0.08   0.31     0.05   0.06  -0.24    -0.09  -0.07   0.32
    35   1     0.01   0.28   0.16    -0.02  -0.22  -0.13     0.02   0.28   0.16
    36   1     0.01   0.09  -0.29     0.00   0.11  -0.35    -0.01   0.06  -0.16
    37   1    -0.18  -0.19  -0.15    -0.20  -0.24  -0.18    -0.10  -0.11  -0.08
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.3389              3070.0140              3070.2424
 Red. masses --      1.0635                 1.0633                 1.0633
 Frc consts  --      5.9032                 5.9047                 5.9053
 IR Inten    --      4.7813                 5.1299                 6.8662
 RamAct Fr= 1--    266.6052               249.5107               130.6933
  Dep-P Fr= 1--      0.0281                 0.0303                 0.0645
  Dep-U Fr= 1--      0.0546                 0.0587                 0.1212
 Alpha2 Fr= 1--      5.5472                 5.1647                 2.4937
 Beta2  Fr= 1--      2.4257                 2.4427                 2.6393
 AlphaG Fr= 1--     -0.7752                -0.6794                -0.3254
 Gamma2 Fr= 1--    -11.6089                -8.9060                10.3191
 Delta2 Fr= 1--     -5.9641                -4.0940                 8.3438
 Raman1 Fr= 1--    1066.421                998.043                522.773
 ROA1   Fr= 1--   -1305.302               -985.979               1257.634
 CID1   Fr= 1--      -1.224                 -0.988                  2.406
 Raman2 Fr= 1--      29.108                 29.313                 31.672
 ROA2   Fr= 1--    -230.900               -180.991                180.908
 CID2   Fr= 1--      -7.933                 -6.174                  5.712
 Raman3 Fr= 1--      58.216                 58.625                 63.343
 ROA3   Fr= 1--   -1305.302               -985.979               1257.634
 CID3   Fr= 1--     -22.422                -16.818                 19.854
 RC180  Fr= 1--      -0.891                 -0.883                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.05  -0.01
     2   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
     3   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.04   0.03  -0.01    -0.01  -0.01   0.00
     8   6    -0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.01  -0.00
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01  -0.03   0.03     0.16   0.41  -0.39    -0.03  -0.07   0.07
    15   1     0.01  -0.01  -0.01    -0.25   0.13   0.23     0.04  -0.02  -0.04
    16   1     0.02   0.04  -0.03    -0.18  -0.40   0.39     0.04   0.08  -0.08
    17   1     0.02  -0.01   0.02    -0.27   0.08  -0.23     0.06  -0.02   0.05
    18   1     0.44   0.07   0.40     0.03   0.00   0.03     0.02   0.00   0.02
    19   1    -0.01   0.29  -0.23    -0.00   0.02  -0.02    -0.00   0.02  -0.01
    20   1    -0.44  -0.05  -0.40    -0.04  -0.00  -0.04    -0.01  -0.00  -0.01
    21   1    -0.06   0.27   0.23    -0.01   0.03   0.02    -0.00   0.00   0.00
    22   1    -0.02   0.02   0.03     0.05  -0.06  -0.07     0.27  -0.34  -0.39
    23   1    -0.02  -0.01  -0.02     0.04   0.02   0.04     0.24   0.15   0.23
    24   1     0.01  -0.02  -0.02    -0.05   0.07   0.08    -0.26   0.36   0.39
    25   1    -0.01  -0.01   0.01     0.04   0.04  -0.05     0.21   0.20  -0.24
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    27   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    29   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    30   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    36   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.8616              3075.3033              3075.6091
 Red. masses --      1.0604                 1.0604                 1.0605
 Frc consts  --      5.9070                 5.9085                 5.9105
 IR Inten    --      3.7695                 1.5980                21.1921
 RamAct Fr= 1--     49.4276                55.5746                 9.4345
  Dep-P Fr= 1--      0.7495                 0.7494                 0.7464
  Dep-U Fr= 1--      0.8568                 0.8568                 0.8548
 Alpha2 Fr= 1--      0.0004                 0.0005                 0.0006
 Beta2  Fr= 1--      7.0583                 7.9358                 1.3441
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     13.9004                15.4739                 2.4477
 Delta2 Fr= 1--      8.1722                 9.0767                 1.4967
 Raman1 Fr= 1--     197.710                222.298                 37.738
 ROA1   Fr= 1--    1595.951               1775.951                282.875
 CID1   Fr= 1--       8.072                  7.989                  7.496
 Raman2 Fr= 1--      84.699                 95.230                 16.130
 ROA2   Fr= 1--     268.233                298.760                 46.771
 CID2   Fr= 1--       3.167                  3.137                  2.900
 Raman3 Fr= 1--     169.399                190.460                 32.259
 ROA3   Fr= 1--    1595.951               1775.951                282.875
 CID3   Fr= 1--       9.421                  9.325                  8.769
 RC180  Fr= 1--       0.714                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00  -0.03  -0.00     0.01   0.04   0.00
     2   6    -0.01   0.00   0.00     0.03  -0.00  -0.00    -0.04   0.01   0.00
     3   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.01  -0.00   0.00    -0.04  -0.02   0.00    -0.02  -0.01   0.00
     8   6     0.00  -0.01   0.00     0.01  -0.04   0.00     0.01  -0.02   0.00
     9   7     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.04   0.03  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.03   0.08  -0.07     0.11   0.28  -0.27     0.07   0.18  -0.18
    15   1    -0.07   0.04   0.07    -0.28   0.15   0.25    -0.19   0.10   0.17
    16   1     0.03   0.06  -0.06     0.12   0.28  -0.28     0.08   0.18  -0.17
    17   1     0.07  -0.02   0.06     0.31  -0.10   0.26     0.20  -0.06   0.16
    18   1     0.35   0.05   0.32    -0.04  -0.01  -0.03    -0.08  -0.01  -0.08
    19   1    -0.01   0.37  -0.30     0.00  -0.04   0.03     0.00  -0.09   0.07
    20   1     0.36   0.04   0.33    -0.02  -0.00  -0.02    -0.09  -0.01  -0.08
    21   1     0.08  -0.37  -0.30    -0.01   0.03   0.02    -0.02   0.09   0.07
    22   1     0.03  -0.04  -0.04    -0.13   0.17   0.19     0.19  -0.24  -0.27
    23   1     0.05   0.03   0.04    -0.19  -0.12  -0.18     0.27   0.17   0.26
    24   1     0.04  -0.05  -0.06    -0.12   0.16   0.18     0.18  -0.24  -0.27
    25   1    -0.05  -0.04   0.05     0.16   0.15  -0.17    -0.24  -0.22   0.25
    26   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    28   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.2043              3115.4595              3115.5691
 Red. masses --      1.1072                 1.1074                 1.1074
 Frc consts  --      6.3308                 6.3326                 6.3333
 IR Inten    --      9.7779                10.7282                 3.7552
 RamAct Fr= 1--    134.5177               131.3316               137.9780
  Dep-P Fr= 1--      0.5139                 0.6061                 0.1743
  Dep-U Fr= 1--      0.6789                 0.7548                 0.2968
 Alpha2 Fr= 1--      0.6215                 0.3486                 2.0045
 Beta2  Fr= 1--     15.2212                16.5209                 6.8250
 AlphaG Fr= 1--      0.1353                 0.0788                 0.4266
 Gamma2 Fr= 1--    -34.5624               -42.0959                 8.2428
 Delta2 Fr= 1--    -24.4357               -30.5046                10.5837
 Raman1 Fr= 1--     538.071                525.326                551.912
 ROA1   Fr= 1--   -4099.932              -5017.352               1129.982
 CID1   Fr= 1--      -7.620                 -9.551                  2.047
 Raman2 Fr= 1--     182.654                198.251                 81.900
 ROA2   Fr= 1--    -634.012               -766.264                113.157
 CID2   Fr= 1--      -3.471                 -3.865                  1.382
 Raman3 Fr= 1--     365.308                396.501                163.800
 ROA3   Fr= 1--   -4099.932              -5017.352               1129.982
 CID3   Fr= 1--     -11.223                -12.654                  6.899
 RC180  Fr= 1--       0.358                  0.510                 -0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.02  -0.00   0.02    -0.04  -0.01   0.05
     2   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02    -0.02  -0.03  -0.05
     3   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01    -0.03   0.03  -0.05     0.01  -0.01   0.02
     8   6     0.01   0.00  -0.01    -0.04  -0.00   0.05     0.02   0.00  -0.02
     9   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.01
    12   6    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.01   0.01
    13   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01  -0.03   0.03     0.09   0.23  -0.22    -0.04  -0.10   0.09
    15   1    -0.05   0.03   0.05     0.37  -0.22  -0.34    -0.16   0.09   0.15
    16   1     0.01   0.03  -0.03    -0.11  -0.23   0.22     0.05   0.10  -0.09
    17   1    -0.05   0.01  -0.04     0.42  -0.11   0.34    -0.18   0.05  -0.14
    18   1    -0.27  -0.05  -0.23    -0.02  -0.00  -0.02     0.03   0.01   0.03
    19   1     0.00   0.47  -0.37     0.00   0.04  -0.03    -0.00  -0.06   0.05
    20   1     0.27   0.02   0.23     0.02   0.00   0.02    -0.04  -0.00  -0.03
    21   1    -0.12   0.46   0.36    -0.01   0.03   0.03     0.02  -0.06  -0.05
    22   1    -0.02   0.02   0.02    -0.07   0.09   0.10    -0.16   0.19   0.22
    23   1     0.04   0.02   0.03     0.17   0.10   0.15     0.37   0.21   0.33
    24   1     0.02  -0.02  -0.02     0.06  -0.09  -0.10     0.14  -0.21  -0.22
    25   1     0.03   0.03  -0.04     0.14   0.13  -0.15     0.31   0.31  -0.34
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    28   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.01
    36   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5132              3125.9479              3126.0975
 Red. masses --      1.1101                 1.1101                 1.1101
 Frc consts  --      6.3894                 6.3909                 6.3915
 IR Inten    --      4.2602                 4.2249                 4.3967
 RamAct Fr= 1--     48.6082                47.7866                52.4628
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7497
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      6.9435                 6.8266                 7.4930
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0001
 Gamma2 Fr= 1--     27.8541                27.6784                30.4086
 Delta2 Fr= 1--      5.6213                 5.5757                 6.0709
 Raman1 Fr= 1--     194.433                191.146                209.851
 ROA1   Fr= 1--    2853.872               2835.554               3113.492
 CID1   Fr= 1--      14.678                 14.834                 14.837
 Raman2 Fr= 1--      83.322                 81.919                 89.916
 ROA2   Fr= 1--     623.527                619.677                681.239
 CID2   Fr= 1--       7.483                  7.565                  7.576
 Raman3 Fr= 1--     166.644                163.838                179.832
 ROA3   Fr= 1--    2853.872               2835.554               3113.492
 CID3   Fr= 1--      17.126                 17.307                 17.313
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.00  -0.05
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05
     3   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.02   0.04  -0.05     0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00     0.04   0.01  -0.05    -0.00  -0.00   0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.02   0.03   0.05     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.01    -0.13  -0.36   0.33     0.01   0.02  -0.02
    15   1     0.01  -0.00  -0.01    -0.34   0.20   0.30     0.02  -0.01  -0.02
    16   1     0.00   0.01  -0.01    -0.16  -0.34   0.32     0.01   0.02  -0.02
    17   1    -0.01   0.00  -0.01     0.38  -0.10   0.30    -0.03   0.01  -0.02
    18   1    -0.37  -0.06  -0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    19   1     0.00   0.39  -0.30     0.00   0.01  -0.01    -0.00   0.01  -0.01
    20   1    -0.38  -0.03  -0.33    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    21   1     0.10  -0.38  -0.31     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    22   1     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.24   0.29   0.33
    23   1    -0.01  -0.00  -0.01     0.02   0.01   0.02     0.34   0.19   0.30
    24   1     0.00  -0.00  -0.00    -0.02   0.02   0.02    -0.22   0.31   0.33
    25   1     0.00   0.00  -0.00    -0.02  -0.02   0.02    -0.27  -0.27   0.30
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    33   1     0.01  -0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    34   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    37   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.8540              3431.3797              3431.6221
 Red. masses --      1.0529                 1.0529                 1.0529
 Frc consts  --      7.3022                 7.3044                 7.3054
 IR Inten    --    171.8403                42.0467                29.9404
 RamAct Fr= 1--      2.1147                18.2601                 2.1118
  Dep-P Fr= 1--      0.2506                 0.0952                 0.7368
  Dep-U Fr= 1--      0.4008                 0.1739                 0.8485
 Alpha2 Fr= 1--      0.0250                 0.3235                 0.0005
 Beta2  Fr= 1--      0.1413                 0.5291                 0.2986
 AlphaG Fr= 1--     -0.0025                -0.0738                -0.0002
 Gamma2 Fr= 1--      0.4094                 8.0848                11.6779
 Delta2 Fr= 1--     -0.1346                -0.0439                -0.9564
 Raman1 Fr= 1--       8.459                 73.040                  8.447
 ROA1   Fr= 1--      34.992                774.735               1090.468
 CID1   Fr= 1--       4.137                 10.607                129.092
 Raman2 Fr= 1--       1.695                  6.349                  3.584
 ROA2   Fr= 1--      10.901                194.386                287.920
 CID2   Fr= 1--       6.431                 30.616                 80.343
 Raman3 Fr= 1--       3.390                 12.698                  7.167
 ROA3   Fr= 1--      34.992                774.735               1090.468
 CID3   Fr= 1--      10.321                 61.011                152.146
 RC180  Fr= 1--      -0.198                 -0.652                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.01
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   7    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04     0.00   0.01   0.03
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.03
    10   7     0.01   0.00  -0.04    -0.01  -0.00   0.03    -0.00  -0.00   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.02     0.00   0.00  -0.01     0.01   0.00  -0.04
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    19   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00   0.01
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.16  -0.16   0.05    -0.10   0.10  -0.03    -0.04   0.04  -0.01
    27   1    -0.11   0.10   0.24     0.07  -0.07  -0.16     0.03  -0.03  -0.06
    28   1     0.07  -0.13   0.03     0.11  -0.20   0.05    -0.07   0.12  -0.03
    29   1    -0.05   0.09   0.16    -0.07   0.14   0.25     0.04  -0.08  -0.15
    30   1    -0.19  -0.05   0.04    -0.09  -0.02   0.02    -0.38  -0.10   0.09
    31   1     0.14   0.04   0.22     0.07   0.02   0.11     0.26   0.08   0.43
    32   1    -0.40   0.00   0.09     0.34  -0.00  -0.07     0.10  -0.00  -0.02
    33   1     0.29  -0.01   0.45    -0.24   0.01  -0.37    -0.07   0.00  -0.12
    34   1     0.06   0.22   0.05     0.10   0.36   0.08    -0.07  -0.25  -0.06
    35   1    -0.04  -0.16   0.26    -0.06  -0.26   0.42     0.04   0.18  -0.29
    36   1     0.09   0.15   0.04     0.08   0.14   0.04     0.16   0.28   0.07
    37   1    -0.07  -0.11   0.20    -0.06  -0.09   0.17    -0.12  -0.19   0.36
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3432.5865              3432.6909              3433.1997
 Red. masses --      1.0530                 1.0530                 1.0532
 Frc consts  --      7.3099                 7.3107                 7.3137
 IR Inten    --     12.8414                 0.8203                 1.2218
 RamAct Fr= 1--     15.6050                18.9144               393.0464
  Dep-P Fr= 1--      0.6735                 0.4945                 0.0193
  Dep-U Fr= 1--      0.8049                 0.6617                 0.0380
 Alpha2 Fr= 1--      0.0211                 0.0958                 8.3475
 Beta2  Fr= 1--      2.0934                 2.0860                 2.4868
 AlphaG Fr= 1--     -0.0051                -0.0248                -1.7908
 Gamma2 Fr= 1--     -5.5879                -3.7144                -2.6301
 Delta2 Fr= 1--     -0.5309                -1.6237                -2.2551
 Raman1 Fr= 1--      62.420                 75.658               1572.186
 ROA1   Fr= 1--    -553.431               -408.546               -324.655
 CID1   Fr= 1--      -8.866                 -5.400                 -0.206
 Raman2 Fr= 1--      25.121                 25.032                 29.842
 ROA2   Fr= 1--    -129.863                -76.157                -45.082
 CID2   Fr= 1--      -5.170                 -3.042                 -1.511
 Raman3 Fr= 1--      50.241                 50.064                 59.684
 ROA3   Fr= 1--    -553.431               -408.546               -324.655
 CID3   Fr= 1--     -11.015                 -8.160                 -5.440
 RC180  Fr= 1--       0.610                  0.323                 -0.924
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00   0.00  -0.03     0.00  -0.01   0.03    -0.00   0.01  -0.03
     4  45     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.01  -0.04    -0.00   0.00  -0.01     0.00  -0.00   0.03
     6   7     0.00   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.02
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00  -0.01  -0.04    -0.00  -0.00  -0.02
    10   7    -0.00  -0.00   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.02
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   7    -0.00  -0.00   0.01    -0.01  -0.00   0.03    -0.00  -0.00   0.02
    14   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   1     0.31  -0.31   0.10     0.08  -0.08   0.03    -0.20   0.20  -0.06
    27   1    -0.23   0.21   0.49    -0.06   0.06   0.13     0.15  -0.14  -0.31
    28   1     0.13  -0.24   0.06    -0.14   0.25  -0.06     0.16  -0.29   0.07
    29   1    -0.09   0.17   0.30     0.09  -0.18  -0.31    -0.11   0.21   0.37
    30   1     0.07   0.02  -0.02     0.31   0.09  -0.07     0.21   0.06  -0.05
    31   1    -0.05  -0.02  -0.08    -0.22  -0.07  -0.36    -0.15  -0.05  -0.24
    32   1     0.21  -0.00  -0.05     0.03  -0.00  -0.01    -0.15   0.00   0.03
    33   1    -0.15   0.01  -0.24    -0.02   0.00  -0.03     0.11  -0.01   0.18
    34   1    -0.05  -0.18  -0.04     0.03   0.11   0.03    -0.05  -0.20  -0.05
    35   1     0.03   0.13  -0.21    -0.02  -0.08   0.13     0.03   0.15  -0.24
    36   1     0.03   0.04   0.01     0.19   0.32   0.08     0.12   0.20   0.05
    37   1    -0.02  -0.03   0.06    -0.15  -0.23   0.42    -0.09  -0.14   0.26
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3481.5083              3482.0571              3482.1925
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8013                 7.8032                 7.8031
 IR Inten    --     31.4116                33.8102                24.6513
 RamAct Fr= 1--     29.3949                21.2549                25.3844
  Dep-P Fr= 1--      0.6152                 0.5813                 0.7489
  Dep-U Fr= 1--      0.7618                 0.7352                 0.8564
 Alpha2 Fr= 1--      0.0727                 0.0672                 0.0005
 Beta2  Fr= 1--      3.7320                 2.6044                 3.6233
 AlphaG Fr= 1--      0.3034                 0.2804                 0.0034
 Gamma2 Fr= 1--      9.4162                18.8892               -43.0264
 Delta2 Fr= 1--      0.4241                 2.2988               -16.7974
 Raman1 Fr= 1--     117.579                 85.020                101.538
 ROA1   Fr= 1--     917.524               1886.923              -4668.051
 CID1   Fr= 1--       7.803                 22.194                -45.974
 Raman2 Fr= 1--      44.784                 31.253                 43.480
 ROA2   Fr= 1--     222.595                434.950               -898.254
 CID2   Fr= 1--       4.970                 13.917                -20.659
 Raman3 Fr= 1--      89.569                 62.506                 86.959
 ROA3   Fr= 1--     917.524               1886.923              -4668.051
 CID3   Fr= 1--      10.244                 30.188                -53.681
 RC180  Fr= 1--       0.524                  0.470                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   7    -0.00  -0.02   0.01     0.01   0.03  -0.01    -0.02  -0.06   0.02
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.01   0.00
    10   7    -0.07   0.00  -0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.01  -0.01
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.00   0.01     0.00   0.00   0.00
    21   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.03   0.03  -0.01    -0.02   0.02  -0.01     0.02  -0.03   0.01
    27   1    -0.01   0.01   0.03    -0.01   0.01   0.02     0.01  -0.01  -0.02
    28   1    -0.01   0.02  -0.01     0.10  -0.17   0.05     0.18  -0.31   0.10
    29   1    -0.00   0.01   0.02     0.03  -0.07  -0.13     0.06  -0.13  -0.25
    30   1     0.00   0.00  -0.00     0.62   0.16  -0.17     0.21   0.06  -0.06
    31   1     0.00   0.00   0.00     0.24   0.08   0.44     0.09   0.03   0.16
    32   1     0.74   0.00  -0.20     0.06  -0.00  -0.02    -0.13   0.00   0.04
    33   1     0.29  -0.02   0.51     0.03  -0.00   0.04    -0.05   0.00  -0.09
    34   1     0.05   0.17   0.05    -0.08  -0.30  -0.08     0.16   0.60   0.17
    35   1     0.01   0.07  -0.12    -0.02  -0.12   0.21     0.05   0.24  -0.42
    36   1    -0.03  -0.05  -0.01    -0.09  -0.16  -0.05     0.03   0.06   0.02
    37   1    -0.01  -0.02   0.03    -0.04  -0.06   0.13     0.01   0.02  -0.04
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.2279              3482.5349              3482.6118
 Red. masses --      1.0924                 1.0923                 1.0922
 Frc consts  --      7.8045                 7.8050                 7.8051
 IR Inten    --     28.2080                53.5974                30.2478
 RamAct Fr= 1--     38.3051                 8.7250                30.2618
  Dep-P Fr= 1--      0.5795                 0.7131                 0.7331
  Dep-U Fr= 1--      0.7338                 0.8325                 0.8460
 Alpha2 Fr= 1--      0.1225                 0.0056                 0.0087
 Beta2  Fr= 1--      4.6844                 1.2107                 4.2670
 AlphaG Fr= 1--      0.5136                 0.0232                 0.0372
 Gamma2 Fr= 1--     37.2632                -8.2308               -41.2905
 Delta2 Fr= 1--      8.0679                 5.7529                 0.8732
 Raman1 Fr= 1--     153.221                 34.900                121.047
 ROA1   Fr= 1--    3835.438               -606.067              -3935.942
 CID1   Fr= 1--      25.032                -17.366                -32.516
 Raman2 Fr= 1--      56.213                 14.528                 51.205
 ROA2   Fr= 1--     829.773               -243.563               -997.956
 CID2   Fr= 1--      14.761                -16.765                -19.490
 Raman3 Fr= 1--     112.426                 29.056                102.409
 ROA3   Fr= 1--    3835.438               -606.067              -3935.942
 CID3   Fr= 1--      34.115                -20.859                -38.434
 RC180  Fr= 1--       0.468                  0.665                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.03  -0.05  -0.02    -0.02   0.03   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.03  -0.03  -0.01     0.03  -0.03  -0.01     0.04  -0.03  -0.01
     6   7     0.00   0.01  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   7    -0.03  -0.05   0.02     0.01   0.02  -0.01     0.02   0.03  -0.01
    10   7    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.00    -0.02  -0.01  -0.01     0.03   0.01   0.01
    14   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.00  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   1    -0.01   0.01   0.01    -0.00   0.01   0.01    -0.00   0.01   0.01
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.31   0.31  -0.12    -0.28   0.28  -0.11    -0.34   0.34  -0.13
    27   1    -0.13   0.12   0.30    -0.12   0.11   0.27    -0.14   0.13   0.33
    28   1     0.03  -0.05   0.02    -0.26   0.44  -0.14     0.19  -0.33   0.10
    29   1     0.01  -0.02  -0.04    -0.09   0.19   0.36     0.07  -0.14  -0.27
    30   1     0.09   0.02  -0.02     0.20   0.05  -0.05    -0.26  -0.07   0.07
    31   1     0.03   0.01   0.06     0.08   0.03   0.14    -0.10  -0.03  -0.19
    32   1     0.04   0.00  -0.01    -0.12   0.00   0.03    -0.02   0.00   0.01
    33   1     0.02  -0.00   0.03    -0.05   0.00  -0.08    -0.01   0.00  -0.02
    34   1    -0.03  -0.10  -0.03     0.06   0.24   0.07    -0.02  -0.06  -0.02
    35   1    -0.01  -0.04   0.06     0.02   0.09  -0.17    -0.01  -0.03   0.04
    36   1     0.30   0.53   0.17    -0.11  -0.19  -0.06    -0.18  -0.31  -0.10
    37   1     0.13   0.20  -0.42    -0.05  -0.07   0.15    -0.08  -0.12   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2545.129212547.041233955.93264
           X            1.00000  -0.00201  -0.00001
           Y            0.00201   1.00000  -0.00001
           Z            0.00001   0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03403     0.03401     0.02189
 Rotational constants (GHZ):           0.70910     0.70856     0.45621
 Zero-point vibrational energy     926060.3 (Joules/Mol)
                                  221.33371 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    120.10   123.15   167.12   205.89   206.96
          (Kelvin)            234.94   308.55   309.38   317.78   353.19
                              433.18   434.00   440.24   471.24   472.31
                              578.94   585.44   585.86   666.53   667.03
                              720.66   771.60   771.81   816.43   991.54
                              992.71  1005.01  1030.38  1109.35  1110.70
                             1246.58  1246.65  1250.02  1250.24  1250.40
                             1263.31  1410.93  1415.00  1415.14  1440.90
                             1440.94  1448.56  1510.23  1510.33  1510.61
                             1603.28  1603.61  1616.34  1685.36  1686.03
                             1708.83  1759.55  1760.50  1794.23  1858.18
                             1858.79  1870.24  1914.11  1914.32  1933.53
                             1938.74  1938.98  1945.40  2020.89  2020.99
                             2026.22  2075.21  2075.25  2081.36  2162.49
                             2162.69  2163.35  2163.99  2164.59  2165.07
                             2370.23  2383.78  2384.28  2389.63  2397.21
                             2397.69  4416.09  4417.07  4417.39  4424.04
                             4424.68  4425.12  4482.08  4482.45  4482.61
                             4496.92  4497.54  4497.76  4936.23  4936.99
                             4937.34  4938.73  4938.88  4939.61  5009.11
                             5009.90  5010.10  5010.15  5010.59  5010.70
 
 Zero-point correction=                           0.352718 (Hartree/Particle)
 Thermal correction to Energy=                    0.367705
 Thermal correction to Enthalpy=                  0.368649
 Thermal correction to Gibbs Free Energy=         0.312298
 Sum of electronic and zero-point Energies=           -681.283374
 Sum of electronic and thermal Energies=              -681.268387
 Sum of electronic and thermal Enthalpies=            -681.267443
 Sum of electronic and thermal Free Energies=         -681.323794
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.738             60.508            118.601
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.617
 Vibrational            228.961             54.546             44.164
 Vibration     1          0.600              1.961              3.807
 Vibration     2          0.601              1.959              3.758
 Vibration     3          0.608              1.936              3.163
 Vibration     4          0.616              1.910              2.762
 Vibration     5          0.616              1.909              2.752
 Vibration     6          0.623              1.887              2.511
 Vibration     7          0.644              1.819              2.005
 Vibration     8          0.645              1.818              2.001
 Vibration     9          0.648              1.809              1.952
 Vibration    10          0.660              1.770              1.763
 Vibration    11          0.693              1.672              1.411
 Vibration    12          0.694              1.671              1.408
 Vibration    13          0.696              1.662              1.384
 Vibration    14          0.711              1.620              1.272
 Vibration    15          0.711              1.619              1.269
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.772              1.455              0.938
 Vibration    18          0.772              1.455              0.937
 Vibration    19          0.821              1.332              0.757
 Vibration    20          0.821              1.331              0.756
 Vibration    21          0.856              1.248              0.656
 Vibration    22          0.891              1.170              0.573
 Vibration    23          0.891              1.169              0.573
 Vibration    24          0.923              1.102              0.509
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.225495-143       -143.646863       -330.759126
 Total V=0       0.390735D+19         18.591883         42.809392
 Vib (Bot)       0.664362-158       -158.177595       -364.217373
 Vib (Bot)    1  0.246572D+01          0.391944          0.902483
 Vib (Bot)    2  0.240400D+01          0.380934          0.877133
 Vib (Bot)    3  0.176086D+01          0.245725          0.565803
 Vib (Bot)    4  0.141970D+01          0.152197          0.350446
 Vib (Bot)    5  0.141211D+01          0.149868          0.345085
 Vib (Bot)    6  0.123677D+01          0.092291          0.212507
 Vib (Bot)    7  0.924492D+00         -0.034097         -0.078511
 Vib (Bot)    8  0.921771D+00         -0.035377         -0.081459
 Vib (Bot)    9  0.895244D+00         -0.048058         -0.110659
 Vib (Bot)   10  0.796748D+00         -0.098679         -0.227217
 Vib (Bot)   11  0.631273D+00         -0.199783         -0.460017
 Vib (Bot)   12  0.629872D+00         -0.200747         -0.462238
 Vib (Bot)   13  0.619423D+00         -0.208013         -0.478968
 Vib (Bot)   14  0.571343D+00         -0.243103         -0.559765
 Vib (Bot)   15  0.569790D+00         -0.244285         -0.562488
 Vib (Bot)   16  0.442176D+00         -0.354404         -0.816046
 Vib (Bot)   17  0.435812D+00         -0.360700         -0.830543
 Vib (Bot)   18  0.435406D+00         -0.361105         -0.831475
 Vib (Bot)   19  0.366159D+00         -0.436330         -1.004688
 Vib (Bot)   20  0.365781D+00         -0.436778         -1.005719
 Vib (Bot)   21  0.327867D+00         -0.484302         -1.115147
 Vib (Bot)   22  0.296462D+00         -0.528032         -1.215838
 Vib (Bot)   23  0.296342D+00         -0.528206         -1.216240
 Vib (Bot)   24  0.271905D+00         -0.565582         -1.302301
 Vib (V=0)       0.115120D+05          4.061151          9.351145
 Vib (V=0)    1  0.301590D+01          0.479417          1.103899
 Vib (V=0)    2  0.295544D+01          0.470623          1.083649
 Vib (V=0)    3  0.233047D+01          0.367444          0.846071
 Vib (V=0)    4  0.200517D+01          0.302152          0.695731
 Vib (V=0)    5  0.199802D+01          0.300599          0.692155
 Vib (V=0)    6  0.183402D+01          0.263404          0.606511
 Vib (V=0)    7  0.155104D+01          0.190623          0.438926
 Vib (V=0)    8  0.154865D+01          0.189952          0.437382
 Vib (V=0)    9  0.152541D+01          0.183386          0.422262
 Vib (V=0)   10  0.144064D+01          0.158556          0.365089
 Vib (V=0)   11  0.130530D+01          0.115710          0.266432
 Vib (V=0)   12  0.130420D+01          0.115345          0.265591
 Vib (V=0)   13  0.129604D+01          0.112619          0.259316
 Vib (V=0)   14  0.125923D+01          0.100106          0.230502
 Vib (V=0)   15  0.125806D+01          0.099703          0.229574
 Vib (V=0)   16  0.116747D+01          0.067247          0.154841
 Vib (V=0)   17  0.116327D+01          0.065682          0.151239
 Vib (V=0)   18  0.116301D+01          0.065582          0.151009
 Vib (V=0)   19  0.111974D+01          0.049116          0.113093
 Vib (V=0)   20  0.111951D+01          0.049029          0.112894
 Vib (V=0)   21  0.109791D+01          0.040567          0.093409
 Vib (V=0)   22  0.108128D+01          0.033939          0.078148
 Vib (V=0)   23  0.108122D+01          0.033915          0.078092
 Vib (V=0)   24  0.106915D+01          0.029039          0.066865
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181277D+07          6.258343         14.410367
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000014083    0.000001070   -0.000028809
      2        6           0.000003271   -0.000003666    0.000013123
      3        7           0.000040289    0.000003240   -0.000023439
      4       45          -0.000092645   -0.000040631   -0.000005690
      5        7           0.000020917   -0.000036648    0.000073159
      6        7          -0.000011403    0.000011425   -0.000002752
      7        6          -0.000002563   -0.000008075   -0.000006494
      8        6           0.000015348   -0.000004396    0.000016935
      9        7           0.000005582    0.000007291   -0.000078653
     10        7          -0.000017538    0.000033977   -0.000077852
     11        6          -0.000021644    0.000017925    0.000028544
     12        6          -0.000017572    0.000000981    0.000016120
     13        7           0.000074341   -0.000009136    0.000009715
     14        1          -0.000009784   -0.000002835    0.000048362
     15        1          -0.000000105   -0.000000451    0.000001678
     16        1          -0.000007679    0.000000407   -0.000000591
     17        1          -0.000000667   -0.000001352    0.000001765
     18        1           0.000003844   -0.000004862    0.000008021
     19        1           0.000000915   -0.000000949   -0.000002012
     20        1           0.000001755    0.000009231   -0.000018427
     21        1           0.000001133    0.000000281   -0.000002184
     22        1           0.000006796    0.000026127    0.000020735
     23        1          -0.000000621   -0.000001091   -0.000000406
     24        1           0.000029213   -0.000011968   -0.000051467
     25        1          -0.000000084    0.000001632    0.000000053
     26        1           0.000017803    0.000016957   -0.000024197
     27        1          -0.000013330   -0.000018114    0.000004468
     28        1           0.000024182   -0.000000748    0.000025622
     29        1           0.000002504   -0.000018473    0.000015697
     30        1          -0.000002180   -0.000009151   -0.000010645
     31        1          -0.000000436    0.000017709   -0.000020059
     32        1           0.000010304   -0.000010542    0.000020328
     33        1          -0.000001202    0.000024548    0.000002895
     34        1          -0.000005544   -0.000035706    0.000002755
     35        1           0.000006964    0.000034475   -0.000015904
     36        1          -0.000033009    0.000003133    0.000035024
     37        1          -0.000013073    0.000008383    0.000024584
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092645 RMS     0.000023815
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154702D+03 -0.205918D-01  0.245482D-01
      2  -0.205918D-01  0.154640D+03  0.172291D-01
      3   0.245482D-01  0.172291D-01  0.120739D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.532982D+01 -0.174534D-01  0.914840D-01
      2  -0.125316D+00  0.520623D+01 -0.230390D-01
      3   0.923790D-01 -0.134432D+00 -0.814731D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.319277D+02 -0.784209D+02 -0.137351D+00
      2  -0.319047D+02  0.784201D+02  0.128666D+00
      3  -0.230180D-01  0.822741D-03  0.868468D-02
      4  -0.782508D+02 -0.316632D+02 -0.896422D-01
      5  -0.700850D-01  0.513563D+01  0.103858D+00
      6  -0.527377D+01  0.117133D+00  0.284773D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.478553D+00  0.150354D+01 -0.148820D+01  0.868713D+00  0.847711D+00
      2   0.150354D+01  0.163174D+01 -0.329263D+01  0.847711D+00  0.319958D+01
      3  -0.148820D+01 -0.329263D+01 -0.136575D+00 -0.342150D+01 -0.309074D+00
                 6             7             8             9            10 
      1  -0.342150D+01 -0.177214D+01 -0.459607D+01  0.283642D+00  0.400801D+01
      2  -0.309074D+00 -0.459607D+01 -0.979205D+00  0.280616D+01  0.474687D+00
      3   0.176894D+01  0.283642D+00  0.280616D+01 -0.230836D+00  0.214777D+01
                11            12            13            14            15 
      1   0.474687D+00  0.214777D+01  0.152923D+01  0.935595D+00  0.315086D+01
      2   0.576927D+00  0.328335D+01  0.935595D+00 -0.410601D+00 -0.347772D+00
      3   0.328335D+01  0.170128D+01  0.315086D+01 -0.347772D+00 -0.578310D+00
                16            17            18            19            20 
      1   0.352040D+01  0.419977D+01  0.285985D+01 -0.952190D+01 -0.178900D+01
      2   0.419977D+01 -0.599850D+00 -0.407272D+00 -0.178900D+01  0.319686D+00
      3   0.285985D+01 -0.407272D+00  0.226701D+00 -0.437399D+01 -0.238101D+01
                21            22            23            24            25 
      1  -0.437399D+01 -0.413368D+01 -0.421646D+00 -0.282498D+01 -0.340756D+01
      2  -0.238101D+01 -0.421646D+00 -0.125238D+01  0.220867D-01 -0.157912D+01
      3  -0.197603D+01 -0.282498D+01  0.220867D-01  0.312993D+00 -0.225950D+01
                26            27            28            29            30 
      1  -0.157912D+01 -0.225950D+01 -0.569321D+00  0.141264D+01  0.206810D-01
      2  -0.429334D-01  0.983942D+00  0.141264D+01  0.555287D+00 -0.157398D+01
      3   0.983942D+00  0.525066D+00  0.206810D-01 -0.157398D+01 -0.593198D-02
                31            32            33            34            35 
      1   0.140258D+01  0.553057D+00  0.157612D+01  0.696877D-02 -0.820541D-02
      2   0.553057D+00 -0.137960D+01 -0.914418D-02 -0.820541D-02  0.510523D-02
      3   0.157612D+01 -0.914418D-02 -0.196498D-02  0.348900D-02  0.213685D-02
                36            37            38            39            40 
      1   0.348900D-02 -0.196154D+01 -0.211304D+01  0.162013D+01 -0.820771D+00
      2   0.213685D-02 -0.211304D+01 -0.565767D+01  0.355500D+01 -0.357652D+01
      3   0.115007D-01  0.162013D+01  0.355500D+01 -0.225614D+00  0.311496D+01
                41            42            43            44            45 
      1  -0.357652D+01  0.311496D+01  0.109696D+01  0.222264D+01  0.365437D+00
      2  -0.669117D+01  0.272699D+01  0.222264D+01  0.234622D+01 -0.240493D+01
      3   0.272699D+01 -0.199082D+01  0.365437D+00 -0.240493D+01 -0.543669D+00
                46            47            48            49            50 
      1   0.105174D+02  0.924139D+00  0.535034D+01 -0.153756D+01 -0.748689D-01
      2   0.924139D+00 -0.193275D+00 -0.981757D+00 -0.748689D-01 -0.132150D+01
      3   0.535034D+01 -0.981757D+00  0.184065D+01 -0.138902D+01 -0.100439D+01
                51            52            53            54            55 
      1  -0.138902D+01  0.393549D+01 -0.574261D+00  0.185761D+01 -0.420284D+01
      2  -0.100439D+01 -0.574261D+00 -0.490393D+00  0.151263D+01 -0.260074D+00
      3   0.786946D+00  0.185761D+01  0.151263D+01 -0.539112D+00 -0.364140D+01
                56            57            58            59            60 
      1  -0.260074D+00 -0.364140D+01  0.737545D+00 -0.427024D+00  0.214049D+01
      2  -0.346969D+00  0.227022D+01 -0.427024D+00 -0.792392D+00  0.173696D+01
      3   0.227022D+01 -0.150931D+01  0.214049D+01  0.173696D+01 -0.949667D+00
                61            62            63            64            65 
      1  -0.539486D+01  0.266971D+01 -0.264244D+01 -0.171621D+01  0.190751D+01
      2   0.266971D+01  0.239972D+01 -0.112161D+01  0.190751D+01 -0.149983D+01
      3  -0.264244D+01 -0.112161D+01 -0.260118D+00  0.314254D+01 -0.266889D+01
                66            67            68            69            70 
      1   0.314254D+01  0.113932D+01 -0.839840D+00 -0.274477D+01  0.411704D+01
      2  -0.266889D+01 -0.839840D+00  0.218688D+01 -0.126141D+01 -0.388243D+01
      3  -0.336016D+00 -0.274477D+01 -0.126141D+01  0.175711D+01 -0.106833D+01
                71            72            73            74            75 
      1  -0.388243D+01 -0.106833D+01  0.390828D+01 -0.379663D+01 -0.332201D+01
      2  -0.121031D+01  0.270469D+01 -0.379663D+01  0.540459D+01  0.340533D+01
      3   0.270469D+01  0.270268D+00 -0.332201D+01  0.340533D+01  0.711916D+00
                76            77            78            79            80 
      1  -0.201386D+01  0.372296D+01  0.297088D+01 -0.226346D+01  0.223415D+01
      2   0.372296D+01 -0.327506D+01 -0.101011D+01  0.223415D+01 -0.119607D+01
      3   0.297088D+01 -0.101011D+01 -0.185626D+01  0.244917D+00 -0.243307D+01
                81            82            83            84            85 
      1   0.244917D+00 -0.104133D+01  0.790788D+00  0.117911D+01  0.136239D+01
      2  -0.243307D+01  0.790788D+00  0.974303D+00 -0.344791D+00  0.339053D+01
      3   0.522537D+00  0.117911D+01 -0.344791D+00  0.124099D+01 -0.798356D+00
                86            87            88            89            90 
      1   0.339053D+01 -0.798356D+00  0.531768D+00 -0.660108D+00  0.194723D+01
      2   0.923592D+01 -0.539306D+01 -0.660108D+00 -0.390534D+01  0.143783D+01
      3  -0.539306D+01  0.151797D+01  0.194723D+01  0.143783D+01  0.596444D+00
                91            92            93            94            95 
      1  -0.110217D+01 -0.371915D+00 -0.250197D+01 -0.517727D+00 -0.120332D+01
      2  -0.371915D+00 -0.201007D+00 -0.512417D+00 -0.120332D+01 -0.385375D+01
      3  -0.250197D+01 -0.512417D+00 -0.137256D+01 -0.607370D+00  0.432264D+01
                96            97            98            99           100 
      1  -0.607370D+00 -0.329930D+01 -0.332837D+00 -0.180978D+01  0.145537D+01
      2   0.432264D+01 -0.332837D+00  0.619082D+01 -0.230344D+01 -0.539668D+00
      3  -0.119873D+01 -0.180978D+01 -0.230344D+01  0.194599D+00  0.231337D+01
               101           102           103           104           105 
      1  -0.539668D+00  0.231337D+01 -0.998475D+00  0.184400D+01  0.115403D+01
      2   0.919582D+00  0.129036D+01  0.184400D+01 -0.302066D+01 -0.415347D+01
      3   0.129036D+01  0.161889D+01  0.115403D+01 -0.415347D+01 -0.830013D+00
               106           107           108           109           110 
      1   0.284812D+01  0.201724D+01  0.230861D+01 -0.390825D+00  0.240575D+01
      2   0.201724D+01 -0.573225D+01 -0.172435D+01  0.240575D+01 -0.230093D+01
      3   0.230861D+01 -0.172435D+01 -0.237324D+00 -0.427440D+00 -0.194480D+01
               111           112           113           114           115 
      1  -0.427440D+00  0.362248D+01 -0.450203D+01 -0.239219D+01  0.122310D+00
      2  -0.194480D+01 -0.450203D+01  0.681598D+01  0.477993D+01 -0.167113D+01
      3  -0.162598D+01 -0.239219D+01  0.477993D+01  0.121812D+01 -0.225506D+01
               116           117           118           119           120 
      1  -0.167113D+01 -0.225506D+01 -0.498412D+00 -0.917271D+00  0.325454D+00
      2   0.330277D+01  0.872192D+00 -0.917271D+00 -0.468563D+00  0.415109D+00
      3   0.872192D+00 -0.550646D+00  0.325454D+00  0.415109D+00 -0.281949D+00
               121           122           123           124           125 
      1  -0.149658D+01  0.465171D+00  0.116586D+00  0.806982D+00  0.254128D+00
      2   0.465171D+00 -0.503161D+01  0.167574D+01  0.254128D+00  0.277790D+01
      3   0.116586D+00  0.167574D+01 -0.148221D+01  0.213262D+00 -0.201666D+01
               126           127           128           129           130 
      1   0.213262D+00  0.644601D+01 -0.298262D+01 -0.225548D+01 -0.245331D+01
      2  -0.201666D+01 -0.298262D+01  0.252001D+01  0.132064D+01  0.252291D+01
      3   0.217765D+01 -0.225548D+01  0.132064D+01  0.169160D+01  0.124167D+01
               131           132           133           134           135 
      1   0.252291D+01  0.124167D+01 -0.349413D+01  0.242202D+01  0.259359D+01
      2  -0.324913D+01 -0.109603D+01  0.242202D+01 -0.181619D+01 -0.208213D+01
      3  -0.109603D+01 -0.116333D+01  0.259359D+01 -0.208213D+01 -0.268658D+01
               136           137           138           139           140 
      1   0.295918D+01  0.124273D+01 -0.718191D+00  0.231389D+01  0.122502D+01
      2   0.124273D+01  0.999392D+00 -0.520497D+00  0.122502D+01  0.294346D+01
      3  -0.718191D+00 -0.520497D+00  0.863395D+00 -0.774490D+00 -0.124865D+01
               141           142           143           144           145 
      1  -0.774490D+00 -0.151591D+01 -0.954677D+00  0.157737D+01  0.905109D+01
      2  -0.124865D+01 -0.954677D+00 -0.201119D+01  0.123882D+01 -0.113911D+01
      3   0.121108D+01  0.157737D+01  0.123882D+01 -0.216482D+01  0.296619D+01
               146           147           148           149           150 
      1  -0.113911D+01  0.296619D+01 -0.153580D+01  0.168261D+01 -0.631520D+00
      2   0.130030D+01 -0.555038D+00  0.168261D+01 -0.859776D+00  0.397741D+00
      3  -0.555038D+00  0.204942D+01 -0.631520D+00  0.397741D+00 -0.402366D+00
               151           152           153           154           155 
      1   0.510278D+01 -0.859777D+00  0.331471D+01  0.389536D+01  0.128625D+01
      2  -0.859777D+00  0.230069D+00 -0.384790D+00  0.128625D+01  0.225291D+01
      3   0.331471D+01 -0.384790D+00  0.267050D+01  0.159211D+01  0.606301D+00
               156           157           158           159           160 
      1   0.159211D+01  0.778554D+00  0.133485D+01  0.307386D+00  0.253070D+01
      2   0.606301D+00  0.133485D+01  0.164884D+01  0.471092D+00  0.711234D+00
      3   0.142542D+01  0.307386D+00  0.471092D+00  0.504853D+00  0.165958D+01
               161           162           163           164           165 
      1   0.711234D+00  0.165958D+01  0.297473D+00  0.153449D+01 -0.307707D+00
      2   0.109065D+01  0.120240D+01  0.153449D+01  0.192429D+00 -0.123526D+00
      3   0.120240D+01  0.219911D+01 -0.307707D+00 -0.123526D+00  0.179214D+00
               166           167           168           169           170 
      1   0.123681D+01  0.636605D+00 -0.179908D+00 -0.139153D+00 -0.497083D+00
      2   0.636605D+00  0.933433D+01 -0.306609D+01 -0.497083D+00 -0.521392D+01
      3  -0.179908D+00 -0.306609D+01  0.206995D+01  0.509119D+00  0.329334D+01
               171           172           173           174           175 
      1   0.509119D+00 -0.459751D+01  0.103445D+01 -0.170082D+01  0.315465D+00
      2   0.329334D+01  0.103445D+01 -0.191267D+01  0.234075D+00 -0.117003D+01
      3  -0.265505D+01 -0.170082D+01  0.234075D+00 -0.148419D+01 -0.187216D-01
               176           177           178           179           180 
      1  -0.117003D+01 -0.187216D-01 -0.276820D+01  0.262471D+00 -0.188508D+01
      2   0.544563D+00 -0.320902D+00  0.262471D+00 -0.798524D+00  0.751179D+00
      3  -0.320902D+00  0.145544D+00 -0.188508D+01  0.751179D+00 -0.216815D+01
               181           182           183           184           185 
      1  -0.151976D+01  0.191587D+01  0.530035D+00  0.175584D+01 -0.215553D+01
      2   0.191587D+01 -0.168903D+01 -0.800701D+00 -0.215553D+01  0.837462D+01
      3   0.530035D+00 -0.800701D+00 -0.702732D+00 -0.850771D+00  0.281919D+01
               186           187           188           189           190 
      1  -0.850771D+00  0.700300D+00 -0.166433D+01 -0.132920D+01 -0.417633D+01
      2   0.281919D+01 -0.166433D+01  0.460603D+01  0.305038D+01  0.898686D+00
      3   0.196550D+01 -0.132920D+01  0.305038D+01  0.266053D+01  0.115288D+01
               191           192           193           194           195 
      1   0.898686D+00  0.115288D+01  0.189688D+01 -0.106008D+01 -0.824006D+00
      2  -0.105797D+01 -0.546607D+00 -0.106008D+01  0.216757D+01  0.913139D+00
      3  -0.546607D+00 -0.113579D+01 -0.824006D+00  0.913139D+00  0.958835D+00
               196           197           198           199           200 
      1   0.203927D+01 -0.947292D+00 -0.184604D+01 -0.763418D+01 -0.239134D+01
      2  -0.947292D+00  0.149807D+01  0.822236D+00 -0.239134D+01 -0.183597D+01
      3  -0.184604D+01  0.822236D+00  0.219412D+01 -0.252555D+01 -0.111446D+01
               201           202           203           204           205 
      1  -0.252555D+01 -0.263302D+01 -0.228495D+01 -0.114650D+01 -0.434869D+01
      2  -0.111446D+01 -0.228495D+01 -0.225291D+01 -0.828773D+00 -0.192034D+01
      3  -0.186713D+01 -0.114650D+01 -0.828773D+00 -0.873138D+00 -0.309360D+01
               206           207           208           209           210 
      1  -0.192034D+01 -0.309360D+01  0.131687D+01 -0.893546D+00 -0.548226D+00
      2  -0.958933D+00 -0.120806D+01 -0.893546D+00  0.125310D+01  0.689225D+00
      3  -0.120806D+01 -0.268413D+01 -0.548226D+00  0.689225D+00  0.626716D+00
               211           212           213           214           215 
      1  -0.117977D+01  0.260535D+00  0.404322D+00 -0.105015D+01  0.707899D+00
      2   0.260535D+00 -0.494590D+01 -0.147620D+01  0.707899D+00 -0.247393D+01
      3   0.404322D+00 -0.147620D+01 -0.134710D+01  0.307008D+00 -0.200095D+01
               216           217           218           219           220 
      1   0.307008D+00 -0.426252D+01 -0.289796D+01  0.151984D+01 -0.236754D+01
      2  -0.200095D+01 -0.289796D+01 -0.290195D+01  0.137401D+01 -0.282569D+01
      3  -0.217737D+01  0.151984D+01  0.137401D+01 -0.132925D+01  0.131968D+01
               221           222           223           224           225 
      1  -0.282569D+01  0.131968D+01  0.209703D+01  0.240793D+01 -0.193263D+01
      2  -0.542379D+01  0.179591D+01  0.240793D+01  0.300236D+01 -0.261398D+01
      3   0.179591D+01 -0.155443D+01 -0.193263D+01 -0.261398D+01  0.265524D+01
               226           227           228           229           230 
      1   0.243637D+01 -0.302562D+00  0.268282D+00 -0.170251D+01  0.129320D+01
      2  -0.302562D+00  0.310898D+01 -0.201478D+01  0.129320D+01 -0.357701D+01
      3   0.268282D+00 -0.201478D+01  0.151392D+01 -0.100493D+01  0.133093D+01
               231           232           233           234           235 
      1  -0.100493D+01  0.362732D+00 -0.116327D+01  0.737299D+00 -0.131153D+01
      2   0.133093D+01 -0.116327D+01  0.677354D+00 -0.828446D+00 -0.241304D+00
      3  -0.128592D+01  0.737299D+00 -0.828446D+00  0.171582D+01  0.102396D+01
               236           237           238           239           240 
      1  -0.241304D+00  0.102396D+01  0.525689D+00  0.116459D+01 -0.891998D+00
      2  -0.225467D+00 -0.250445D+00  0.116459D+01  0.190586D+01 -0.291978D+00
      3  -0.250445D+00 -0.152662D+01 -0.891998D+00 -0.291978D+00  0.143266D+01
               241           242           243           244           245 
      1   0.124495D+01  0.151443D+00 -0.129948D+01 -0.193771D+01  0.145311D+01
      2   0.151443D+00  0.114727D+01 -0.203511D+00  0.145311D+01 -0.173205D+01
      3  -0.129948D+01 -0.203511D+00  0.559862D+01 -0.476578D+00  0.108475D+01
               246           247           248           249           250 
      1  -0.476578D+00  0.352890D+01 -0.848624D+00  0.208253D+01 -0.171392D-01
      2   0.108475D+01 -0.848624D+00  0.319043D+01 -0.112069D+01  0.108655D+01
      3  -0.835176D+00  0.208253D+01 -0.112069D+01  0.180278D+01 -0.584614D+00
               251           252           253           254           255 
      1   0.108655D+01 -0.584614D+00  0.216605D+01  0.499730D+00  0.466894D+00
      2  -0.963181D+00  0.926613D+00  0.499730D+00 -0.279690D+00  0.459901D+00
      3   0.926613D+00 -0.168799D+01  0.466894D+00  0.459901D+00  0.950518D+00
               256           257           258           259           260 
      1  -0.107145D+01 -0.654208D+00 -0.173264D+00 -0.126294D+01 -0.157993D+00
      2  -0.654208D+00 -0.110282D+01 -0.123605D+01 -0.157993D+00 -0.116116D+01
      3  -0.173264D+00 -0.123605D+01 -0.186901D+01 -0.543943D+00 -0.119635D+01
               261           262           263           264           265 
      1  -0.543943D+00 -0.525797D+01  0.230801D+00  0.237455D+01 -0.661246D+00
      2  -0.119635D+01  0.230801D+00 -0.207415D+01 -0.199923D+00  0.822230D-01
      3  -0.560810D+01  0.237455D+01 -0.199923D+00 -0.186766D+01  0.837658D+00
               266           267           268           269           270 
      1   0.822230D-01  0.837658D+00  0.159378D+01  0.485883D+00 -0.107416D+01
      2  -0.151654D+01 -0.794909D+00  0.485883D+00 -0.603425D+00 -0.249361D+00
      3  -0.794909D+00 -0.692079D+00 -0.107416D+01 -0.249361D+00  0.170373D+01
               271           272           273           274           275 
      1   0.626503D+00 -0.854570D+00  0.528409D+00 -0.309528D-01  0.878131D+00
      2  -0.854570D+00  0.226504D+01  0.118118D+01  0.878131D+00  0.152162D+00
      3   0.528409D+00  0.118118D+01  0.200529D+01  0.521718D+00  0.244175D+00
               276           277           278           279           280 
      1   0.521718D+00  0.103923D+01 -0.524745D-01  0.446178D+00  0.493923D+01
      2   0.244175D+00 -0.524745D-01  0.139913D+01  0.125706D+01  0.902606D+00
      3   0.621658D+00  0.446178D+00  0.125706D+01  0.561316D+01 -0.231258D+01
               281           282           283           284           285 
      1   0.902606D+00 -0.231258D+01  0.617728D+00  0.414233D+00 -0.108584D-01
      2   0.267549D+01 -0.100827D+01  0.414233D+00 -0.795196D+00  0.700700D+00
      3  -0.100827D+01  0.196290D+01 -0.108584D-01  0.700700D+00 -0.165623D+00
               286           287           288           289           290 
      1  -0.171229D+01 -0.134843D+00  0.111811D+01 -0.412287D+00 -0.107274D+00
      2  -0.134843D+00  0.653408D+00  0.584459D-01 -0.107274D+00 -0.235833D+01
      3   0.111811D+01  0.584459D-01 -0.172638D+01 -0.948928D+00  0.956946D+00
               291           292           293           294           295 
      1  -0.948928D+00  0.325616D+00 -0.852924D+00  0.331778D+00 -0.105361D+01
      2   0.956946D+00 -0.852924D+00 -0.860318D+00  0.102948D+00  0.414945D-01
      3  -0.206353D+01  0.331778D+00  0.102948D+00  0.117014D+00 -0.760636D+00
               296           297           298           299           300 
      1   0.414945D-01 -0.760636D+00  0.372244D+00  0.104999D+01 -0.253396D+00
      2  -0.138284D+01  0.107060D+01  0.104999D+01  0.143650D+01  0.736842D+00
      3   0.107060D+01 -0.562114D+01 -0.253396D+00  0.736842D+00  0.362138D+00
               301           302           303           304           305 
      1   0.334765D+01  0.109971D+01  0.174198D+01 -0.412046D+00  0.738387D+00
      2   0.109971D+01  0.410454D+01  0.183817D+01  0.738387D+00  0.143211D+01
      3   0.174198D+01  0.183817D+01  0.196816D+01  0.364401D+00  0.106106D+01
               306           307           308           309           310 
      1   0.364401D+00 -0.184911D+01 -0.307304D+00 -0.422859D+00 -0.191276D+01
      2   0.106106D+01 -0.307304D+00  0.530217D+00  0.256061D-01  0.500536D+00
      3   0.171802D+01 -0.422859D+00  0.256061D-01 -0.468000D+00 -0.626110D+00
               311           312           313           314           315 
      1   0.500536D+00 -0.626110D+00  0.134751D+01 -0.123760D+00  0.846426D+00
      2  -0.652806D+00  0.120218D+01 -0.123760D+00  0.108344D+01 -0.101935D+01
      3   0.120218D+01 -0.204511D+01  0.846426D+00 -0.101935D+01  0.560043D+01
               316           317           318           319           320 
      1  -0.193331D+01  0.654293D-01  0.386000D+00 -0.170845D+01 -0.683231D+00
      2   0.654293D-01 -0.205658D+01 -0.156910D+01 -0.683231D+00 -0.477441D+01
      3   0.386000D+00 -0.156910D+01 -0.112618D+01 -0.582745D+00 -0.201319D+01
               321           322           323           324           325 
      1  -0.582745D+00  0.201565D+00 -0.946833D+00 -0.491969D+00  0.102282D+01
      2  -0.201319D+01 -0.946833D+00 -0.121764D+01 -0.980709D+00  0.372009D+00
      3  -0.162866D+01 -0.491969D+00 -0.980709D+00 -0.169669D+01 -0.683261D+00
               326           327           328           329           330 
      1   0.372009D+00 -0.683261D+00  0.147020D+01 -0.127364D+01 -0.111864D+01
      2  -0.124390D+00 -0.485241D+00 -0.127364D+01  0.123458D+01 -0.986389D-01
      3  -0.485241D+00  0.113198D+01 -0.111864D+01 -0.986389D-01  0.175462D+01
               331           332           333 
      1  -0.133431D+01  0.113878D+00  0.131861D+01
      2   0.113878D+00 -0.108514D+01  0.127262D+00
      3   0.131861D+01  0.127262D+00 -0.561593D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524363D+01 -0.649834D+01 -0.403960D+01 -0.785357D+01  0.372431D+01
      2   0.624210D+01  0.580096D+01  0.614581D+01  0.618754D+01 -0.431946D+01
      3   0.373254D+01 -0.573058D+01  0.116139D+01 -0.323385D+00  0.369523D+01
                 6             7             8             9            10 
      1   0.158640D+01 -0.532069D+01  0.270249D+01  0.181894D+01 -0.573446D+00
      2  -0.174340D+01  0.298017D+01  0.369587D+00 -0.173704D+01 -0.762765D+00
      3   0.101359D+02 -0.693902D+00  0.142598D+02  0.511713D+01 -0.176638D+01
                11            12            13            14            15 
      1   0.535537D+01 -0.113931D+00  0.545536D+01  0.202827D+01 -0.495645D+01
      2  -0.109762D+02 -0.538353D+00 -0.945829D+01 -0.141503D+01  0.580486D+01
      3   0.265780D-01  0.100737D+02  0.495841D+01 -0.551997D+01 -0.184166D+01
                16            17            18            19            20 
      1  -0.132777D+01 -0.105767D+01 -0.115583D+01  0.235366D+01 -0.113717D+02
      2  -0.102507D+01  0.620294D+01  0.212730D+01  0.246512D+02  0.465174D+01
      3   0.134329D+02 -0.436021D+01 -0.504706D+01 -0.968169D+01  0.984042D+01
                21            22            23            24            25 
      1   0.479480D+01 -0.222040D+02 -0.197967D+01 -0.121546D+02  0.397613D+01
      2   0.734639D+00 -0.201940D+01  0.943490D+00 -0.865680D+01 -0.316872D+02
      3  -0.698990D+01  0.357844D+02  0.622568D+01  0.146519D+02 -0.129345D+01
                26            27            28            29            30 
      1  -0.300191D+00 -0.220722D+00 -0.621112D+00  0.423452D+00 -0.500584D-01
      2  -0.113484D+02 -0.224248D+02  0.629744D+00  0.341301D+00 -0.745647D+01
      3   0.738842D+01  0.388709D+01  0.477588D+00  0.149375D+02  0.141432D+00
                31            32            33            34            35 
      1   0.181458D+00  0.158111D+00  0.766201D+01 -0.980234D-01 -0.202921D+02
      2   0.234257D+00 -0.577379D+00 -0.103243D+00  0.205140D+02 -0.124964D+00
      3  -0.149266D+02  0.248444D+00  0.281180D+00  0.350208D+00  0.985335D-01
                36            37            38            39            40 
      1  -0.200271D+00  0.519953D+00 -0.116627D+01  0.105188D+02  0.807514D+01
      2   0.652358D-01 -0.107406D+02 -0.191657D+02  0.797290D+01 -0.104488D+02
      3   0.165964D+00 -0.167826D+02 -0.285998D+02  0.122602D+02 -0.258665D+01
                41            42            43            44            45 
      1   0.242600D+02 -0.496433D+01  0.186656D+02  0.257576D+02 -0.218271D+02
      2   0.417092D+01 -0.671194D+01 -0.591624D+01 -0.112286D+02  0.575054D+01
      3   0.200342D+02 -0.105189D+02  0.673208D+01 -0.320536D+01 -0.389125D+01
                46            47            48            49            50 
      1   0.521133D+00 -0.101042D+02 -0.913824D+00 -0.223418D+02 -0.674199D+01
      2   0.242792D+02 -0.146001D+01 -0.185061D+01  0.240473D+01  0.636276D-01
      3  -0.315652D+01  0.106730D+02  0.283724D+01  0.366787D+02  0.592211D+01
                51            52            53            54            55 
      1  -0.147131D+02  0.501786D+01 -0.202526D+01  0.599316D+01 -0.778538D+00
      2   0.493463D+01 -0.338854D+02  0.260788D+01 -0.217629D+02 -0.663095D+01
      3   0.158870D+02 -0.849670D+00  0.736963D+01 -0.404808D+01  0.576315D+00
                56            57            58            59            60 
      1   0.267184D+01  0.103762D+01  0.320523D+01 -0.340092D+00 -0.315852D+01
      2   0.110321D+02  0.102790D+01  0.972429D+01  0.353556D+01 -0.662739D+01
      3  -0.118607D+01 -0.938706D+01  0.367967D+01  0.622355D+01 -0.421598D+01
                61            62            63            64            65 
      1   0.143412D+01  0.865695D+00  0.570450D+00  0.598193D+01 -0.286698D+01
      2   0.118522D+01 -0.627206D+01  0.226454D+01  0.108219D+02 -0.353789D+01
      3  -0.120478D+02 -0.763297D+01  0.501555D+01 -0.220025D+01 -0.517357D+01
                66            67            68            69            70 
      1   0.201867D+01 -0.405337D+01 -0.470238D+01  0.182305D+01  0.349047D+01
      2   0.622131D+01 -0.394902D+01 -0.796224D+01  0.392057D+01  0.399390D+01
      3  -0.361338D+01 -0.382838D+00 -0.485968D+01  0.961366D+01 -0.308562D+01
                71            72            73            74            75 
      1   0.382967D+01 -0.118174D+01  0.735946D+00  0.568508D+00 -0.102860D+02
      2   0.157068D+01 -0.191212D+01 -0.174166D+02  0.142321D+02  0.346370D+01
      3   0.140145D+02 -0.522082D+01  0.220921D+02 -0.175655D+02 -0.923744D+01
                76            77            78            79            80 
      1   0.118210D+02 -0.229583D+02 -0.940677D+01 -0.215804D+02  0.170981D+02
      2   0.810498D+01  0.481679D+01  0.637290D+01 -0.144999D+02  0.140167D+02
      3   0.845771D+01 -0.253631D+02 -0.133854D+02 -0.572549D+01 -0.468139D+01
                81            82            83            84            85 
      1   0.195524D+02 -0.188073D+01  0.337177D+01 -0.237626D+00  0.309894D+01
      2   0.109332D+02 -0.146337D+02 -0.199764D+02  0.150415D+02 -0.724964D+01
      3   0.398537D+01 -0.175039D+02 -0.313192D+02  0.160970D+02 -0.525580D+01
                86            87            88            89            90 
      1   0.238653D+02  0.208290D+01  0.643378D+01  0.304642D+02 -0.193698D+02
      2   0.167162D+01 -0.359727D+01 -0.990632D+00 -0.137134D+02  0.113314D+02
      3   0.142346D+02 -0.139578D+01  0.703746D+01 -0.248966D+01  0.374945D+01
                91            92            93            94            95 
      1   0.826919D+01  0.626707D+01  0.689757D+01  0.737819D+01 -0.109975D+02
      2  -0.105015D+01  0.904417D+00  0.105182D+01  0.207327D+00  0.809025D+00
      3  -0.655342D+01 -0.237932D+01 -0.650571D+01  0.274550D+01 -0.464580D+00
                96            97            98            99           100 
      1  -0.317622D+01  0.535325D+01 -0.292241D+01  0.272032D+01 -0.979355D+01
      2  -0.100742D+01 -0.273717D+01 -0.370799D+00 -0.113901D+00 -0.318142D+01
      3  -0.797079D+01 -0.108819D+02 -0.968496D+01 -0.511774D+01  0.586936D+01
               101           102           103           104           105 
      1   0.859005D+00 -0.575599D+01  0.176424D+01  0.126360D+02 -0.490188D+01
      2  -0.124143D+01 -0.757743D+00 -0.120178D+00  0.366347D+01  0.506381D-01
      3  -0.714289D+00  0.839280D+01  0.421512D+01  0.102664D+01 -0.593376D+01
               106           107           108           109           110 
      1  -0.356213D+01 -0.393986D+01 -0.237124D+01  0.381372D+01  0.539306D+01
      2  -0.371527D+01 -0.133520D+01 -0.679318D+00 -0.198890D+02  0.160932D+02
      3   0.129833D+02 -0.667286D+01  0.506448D+01  0.243254D+02 -0.211614D+02
               111           112           113           114           115 
      1  -0.373148D+01  0.831099D+01 -0.218516D+02  0.138308D+00 -0.124195D+02
      2   0.132110D+02  0.354500D+01  0.195302D+01  0.766257D+01 -0.803154D+01
      3  -0.152598D+02  0.510574D+01 -0.213462D+02 -0.554417D+01 -0.612415D+01
               116           117           118           119           120 
      1   0.237358D+02  0.159355D+02  0.103960D+01  0.122321D+01 -0.160269D+01
      2   0.199718D+02  0.160899D+02  0.922332D+00  0.146798D+01 -0.602232D+00
      3  -0.445913D+01 -0.395054D+01  0.599389D+01  0.342095D+01 -0.243994D+01
               121           122           123           124           125 
      1   0.526867D+00  0.489909D+01 -0.517869D+01  0.946374D-01 -0.399851D+01
      2   0.867955D+00  0.535121D+01 -0.394761D+01 -0.175051D+01 -0.538715D+01
      3   0.416282D+01  0.131302D+02 -0.551055D+01 -0.397927D+01 -0.891323D+01
               126           127           128           129           130 
      1   0.636448D+01 -0.271409D+01  0.157097D+01  0.332516D+01  0.887800D+00
      2   0.700670D+01 -0.252491D+01  0.277384D+01  0.514575D+01  0.125421D+01
      3   0.531292D+01 -0.475591D+01 -0.255844D+01  0.440424D+00 -0.636347D+00
               131           132           133           134           135 
      1  -0.244734D+00 -0.270583D+01  0.218528D+01 -0.604435D+00 -0.434616D+01
      2  -0.134552D+01 -0.339735D+01  0.832861D+00 -0.221210D+01 -0.619060D+01
      3   0.419380D+01  0.796110D+00  0.358825D+01 -0.440509D+00  0.272363D+00
               136           137           138           139           140 
      1   0.892108D-01 -0.251617D+00 -0.127946D+00 -0.183606D+00 -0.361212D+00
      2  -0.272922D+01 -0.244592D+01  0.357054D+01 -0.321003D+01 -0.567213D+01
      3  -0.569255D+01 -0.401262D+01  0.216437D+01 -0.321684D+01 -0.132350D+02
               141           142           143           144           145 
      1  -0.106122D+01 -0.223694D+00  0.161711D+01 -0.490225D+00  0.918022D+00
      2   0.547836D+01  0.393341D+01  0.533092D+01 -0.933236D+01  0.487779D+01
      3   0.555911D+01  0.339739D+01  0.894724D+01 -0.513787D+01 -0.131042D+01
               146           147           148           149           150 
      1   0.761352D+00  0.132358D+01  0.165521D+00 -0.265586D+00 -0.611297D+00
      2  -0.518360D+00  0.748048D+01 -0.204004D+01  0.776803D-01 -0.138021D+01
      3  -0.542984D+01 -0.295863D+00 -0.354429D+01  0.200817D+01 -0.838707D+00
               151           152           153           154           155 
      1   0.153434D+00  0.147180D+01  0.130011D+01 -0.699488D+01 -0.220592D+01
      2   0.292599D+01 -0.195667D+00  0.734928D+01  0.143994D+01  0.562625D+00
      3   0.282780D+01 -0.220774D+01 -0.207496D+00  0.146932D+02  0.785214D+00
               156           157           158           159           160 
      1  -0.589217D+01 -0.131756D+01 -0.166273D+01 -0.187366D+01 -0.659477D+01
      2   0.270572D+01  0.242424D+00  0.598715D+00  0.321992D+00  0.207177D+00
      3   0.607199D+01  0.149322D+01  0.469676D+01  0.609183D+00  0.985691D+01
               161           162           163           164           165 
      1  -0.208632D+01 -0.937084D+01 -0.120962D+00 -0.425822D+00 -0.671571D+00
      2   0.123548D+01  0.204561D+01  0.911148D-01  0.640188D+00  0.359664D+00
      3   0.924101D+00  0.536378D+01  0.530298D+00  0.400433D+01 -0.104569D+01
               166           167           168           169           170 
      1   0.106613D+01  0.507074D+01 -0.763283D+01 -0.976170D+00 -0.264320D+01
      2   0.740632D+00 -0.757664D+00  0.595480D+00 -0.126249D+01  0.975817D+00
      3   0.567649D+01 -0.109882D+01 -0.576468D-01 -0.140917D+01  0.333762D+01
               171           172           173           174           175 
      1   0.732093D+01  0.670637D+01 -0.464407D+00  0.519648D+01  0.226027D+00
      2  -0.665580D+00  0.335232D+01 -0.380720D+00  0.412511D+01  0.437519D-01
      3   0.231751D+00 -0.144185D+02 -0.184115D+01 -0.596083D+01 -0.122219D+01
               176           177           178           179           180 
      1   0.950834D+00 -0.475660D+00  0.644082D+01 -0.115928D+00  0.837508D+01
      2   0.733489D+00  0.201935D+00  0.219719D+01 -0.123180D+01  0.425355D+01
      3  -0.462678D+01 -0.957179D+00 -0.969599D+01 -0.150748D+01 -0.522915D+01
               181           182           183           184           185 
      1  -0.309267D+00  0.839249D+00  0.233730D+01  0.239928D+01 -0.428097D+01
      2   0.272490D+00 -0.572122D-01  0.119287D+01  0.170470D+00 -0.217666D+01
      3  -0.266708D+01  0.282489D+01  0.844827D+00  0.468948D+01  0.323674D+01
               186           187           188           189           190 
      1  -0.692155D+01  0.184472D+01 -0.200436D+01 -0.699778D+01  0.119987D+01
      2  -0.231437D+01 -0.503272D+00 -0.184405D+01 -0.252962D+01 -0.440136D+01
      3   0.148618D+00  0.495193D+00  0.357887D+01 -0.242933D+00  0.797425D+01
               191           192           193           194           195 
      1  -0.999426D+00 -0.830469D+00 -0.116871D+01  0.136181D+01  0.191862D+00
      2   0.245735D+01  0.468943D+01  0.334180D+01 -0.401087D+01 -0.462547D+01
      3  -0.523877D+01 -0.343110D+01 -0.466129D+01  0.114021D+02  0.492720D+01
               196           197           198           199           200 
      1  -0.149041D+01  0.263676D+01  0.287126D+01 -0.200206D+01 -0.180187D-01
      2   0.496860D+01 -0.376558D+01 -0.906824D+01  0.349296D+01  0.157760D+01
      3  -0.558313D+01  0.777381D+01  0.526984D+01  0.336041D+01 -0.396340D+01
               201           202           203           204           205 
      1  -0.275408D+01 -0.876447D+00  0.230265D+00 -0.168911D+01 -0.122791D+01
      2   0.619919D+01  0.268174D+01  0.982476D+00  0.279009D+01  0.251354D+01
      3   0.467419D+00 -0.210873D+01 -0.403189D+01 -0.700918D+00 -0.208689D+01
               206           207           208           209           210 
      1   0.105851D+01 -0.317182D+01 -0.212076D+01  0.249847D+01  0.310377D+01
      2   0.127939D+01  0.686204D+01  0.133522D+01 -0.172978D+01 -0.789642D+00
      3  -0.283187D+01  0.203505D+00 -0.840957D+01  0.464726D+01  0.370645D+01
               211           212           213           214           215 
      1   0.173347D+01 -0.522164D+01 -0.530726D+01  0.164255D+01 -0.499522D+01
      2  -0.137786D+01  0.327810D+01  0.236665D+01 -0.266906D+01  0.360521D+01
      3   0.529291D+01 -0.110123D+02 -0.469179D+01  0.607095D+01 -0.752831D+01
               216           217           218           219           220 
      1  -0.792456D+01  0.211412D+01  0.248653D+01 -0.356529D+01  0.149459D+01
      2   0.514379D+01 -0.654958D+00 -0.198725D+01  0.335871D+01 -0.895889D+00
      3  -0.527970D+01  0.526951D+01 -0.247661D-02 -0.679478D+00  0.153104D+01
               221           222           223           224           225 
      1   0.151747D+01 -0.448159D+01 -0.200552D+01 -0.168238D+01  0.572425D+01
      2  -0.211634D+01  0.359854D+01 -0.205784D+00  0.201836D+01 -0.483413D+01
      3  -0.465085D+01  0.838295D+00 -0.327963D+01 -0.121914D+01 -0.271786D+00
               226           227           228           229           230 
      1   0.650544D+00  0.492851D+01 -0.158565D-01  0.108052D+01 -0.138268D+01
      2  -0.588787D+01  0.552472D+01 -0.282023D+01  0.370907D+01 -0.367257D+01
      3  -0.736504D+01  0.788606D+01 -0.473460D+01  0.587709D+01 -0.535297D+01
               231           232           233           234           235 
      1  -0.127483D+01  0.139918D+01 -0.557079D+00  0.983103D+00  0.204495D+01
      2   0.286270D+01 -0.263073D+01  0.134973D+01 -0.235931D+01  0.534533D+00
      3   0.296284D+01 -0.116030D+01  0.117541D+01 -0.291180D+01  0.150398D+01
               236           237           238           239           240 
      1  -0.139573D+01 -0.364697D+01 -0.315064D+01 -0.304121D+01  0.624754D+01
      2   0.166153D+00  0.670386D+00 -0.158563D+01 -0.151215D+01 -0.924688D-01
      3  -0.160242D+01 -0.196999D+01 -0.235526D+01 -0.346776D+01  0.311076D+01
               241           242           243           244           245 
      1  -0.285358D+01  0.110455D+01  0.118000D+02 -0.146988D+01  0.274088D+01
      2  -0.169944D+01 -0.122556D+00 -0.278066D+01  0.612152D+00  0.463098D+00
      3  -0.241908D+01 -0.237944D+00  0.261655D+01  0.211563D+01 -0.439427D+01
               246           247           248           249           250 
      1  -0.165127D+01  0.559690D+01 -0.799734D+01  0.334243D+01 -0.529008D+00
      2   0.169063D+01  0.366975D+01  0.113455D+01 -0.120736D+01  0.372715D+00
      3   0.167964D+01 -0.652982D+01  0.106573D+02 -0.544634D+01  0.861953D+00
               251           252           253           254           255 
      1   0.238564D+01 -0.199639D+01 -0.270256D+01 -0.133259D+01 -0.141443D+01
      2  -0.223720D+01  0.153468D+01 -0.315666D+01 -0.114945D+01 -0.480180D+01
      3  -0.138494D+01  0.292507D+01  0.411969D+01  0.760104D+00  0.243922D+01
               256           257           258           259           260 
      1   0.888255D+00  0.156156D+01  0.739531D+00  0.464053D+00  0.234993D+01
      2  -0.184813D-01  0.253478D+01  0.516971D+01 -0.570172D+00  0.244850D+01
      3  -0.142682D-01 -0.218334D+01 -0.276145D+01 -0.855450D+00 -0.229238D+01
               261           262           263           264           265 
      1   0.455754D+00 -0.537291D+01 -0.266280D+01  0.393416D+01 -0.234001D+01
      2   0.120854D+02  0.717440D+01 -0.222316D-01 -0.102301D+01  0.428749D+01
      3  -0.257792D+01 -0.118124D+02 -0.322501D+01  0.498393D+01 -0.530753D+01
               266           267           268           269           270 
      1  -0.244301D+01  0.605080D+00  0.281453D+01  0.186310D+01 -0.254704D+01
      2  -0.178031D+01 -0.111858D+01 -0.166718D+00 -0.369536D-01  0.343442D+00
      3  -0.807162D+00  0.270573D+01  0.164614D+01  0.419740D+00 -0.295551D+01
               271           272           273           274           275 
      1  -0.449447D+00 -0.212166D+00 -0.394231D+01 -0.904768D+00  0.951495D-02
      2  -0.562009D-01 -0.463323D+01 -0.604188D+01 -0.227190D+01  0.130672D+01
      3  -0.500739D+00  0.347513D+01  0.364603D+01  0.276934D+01 -0.143955D+01
               276           277           278           279           280 
      1  -0.467714D+00 -0.512152D+00  0.427119D+00 -0.825575D+01  0.427465D+01
      2   0.186781D+00 -0.239726D+01 -0.248786D+01 -0.882847D+01  0.897022D+01
      3   0.187845D+00  0.968601D+00  0.229719D+01  0.261269D+01  0.131048D+02
               281           282           283           284           285 
      1  -0.219737D+01 -0.347271D+01 -0.792047D+00  0.198278D+01 -0.629086D+00
      2   0.197834D+01 -0.222318D+01 -0.204191D+01 -0.178099D+01  0.642400D+00
      3   0.546976D-01 -0.547942D+01 -0.198521D+01 -0.571416D+00  0.130334D+01
               286           287           288           289           290 
      1  -0.304770D+01  0.106071D+01  0.237880D+01  0.107630D+01 -0.102697D+01
      2  -0.101401D+01  0.225852D+00  0.978578D+00 -0.137698D+01  0.374103D+01
      3  -0.172937D+01 -0.440334D-01  0.297900D+01 -0.919510D+00  0.285933D+01
               291           292           293           294           295 
      1   0.519663D+01 -0.109560D+01 -0.100552D+01  0.986759D+00  0.113866D+01
      2  -0.455582D+01  0.133180D+01  0.270993D+01 -0.144770D+01 -0.274812D+01
      3  -0.355698D+01  0.214375D+01  0.287574D+01 -0.705346D+00 -0.152616D+01
               296           297           298           299           300 
      1   0.180199D+00  0.102060D+02 -0.662351D+00  0.601914D+00  0.393057D+00
      2   0.178366D+01 -0.638322D+01  0.158514D+01 -0.108324D+00  0.152128D+01
      3   0.189874D+01 -0.257151D+01  0.573946D-01 -0.157366D+01 -0.254180D+00
               301           302           303           304           305 
      1   0.410329D+01  0.934506D+01  0.302409D+01  0.530575D-01  0.174169D+01
      2  -0.259676D+01  0.252744D+01  0.250253D+01 -0.211639D+00  0.278390D+01
      3  -0.351130D+01 -0.128149D+02 -0.557679D+01 -0.563238D+00 -0.153201D+01
               306           307           308           309           310 
      1   0.161646D+01  0.317037D+01 -0.239248D+00  0.194856D+01  0.216063D+01
      2   0.201781D+01 -0.222774D+01 -0.295124D+00 -0.297210D+01 -0.929034D+00
      3  -0.297863D+01 -0.382002D+01 -0.733998D+00 -0.168410D+01 -0.150536D+01
               311           312           313           314           315 
      1  -0.196059D+01  0.262440D+01 -0.110730D+01  0.273818D+01 -0.349829D+01
      2   0.210182D+01 -0.574663D+01 -0.112739D+00 -0.186955D+01  0.115505D+02
      3   0.201674D+01 -0.329360D+01  0.146480D+01 -0.197920D+01  0.261134D+01
               316           317           318           319           320 
      1  -0.111729D+01  0.523421D+01  0.946233D+00  0.104810D+01  0.410260D+01
      2  -0.382405D+01 -0.430806D+01 -0.189407D+01 -0.342741D+01 -0.524471D+01
      3   0.374095D+01  0.749237D+01  0.394967D+01  0.538347D+01  0.887152D+01
               321           322           323           324           325 
      1  -0.264971D+00 -0.546021D+00 -0.382533D+00 -0.345236D+00 -0.552097D+00
      2  -0.373855D+01 -0.243769D+01 -0.215822D+01 -0.249453D+01 -0.119414D+00
      3   0.416784D+01  0.844795D+00  0.146908D+01  0.286691D+01 -0.205581D+00
               326           327           328           329           330 
      1  -0.235580D+01  0.174390D+01 -0.440604D+01  0.172324D+01  0.661343D+01
      2  -0.403633D+00  0.108617D+01  0.891012D+00 -0.620396D+00  0.200042D+01
      3  -0.255271D+01  0.115561D+01 -0.327813D+01  0.213652D+01  0.347979D+01
               331           332           333 
      1   0.280541D+01  0.178925D+01 -0.107042D+02
      2  -0.104975D+01  0.176009D+00 -0.565621D+01
      3   0.243091D+01  0.352543D+00 -0.261096D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.312080D+01 -0.270934D+01 -0.103745D+01 -0.478732D+00  0.550363D+01
      2  -0.350283D+01 -0.420004D+00  0.131963D+02  0.241008D+00 -0.120628D+02
      3   0.382034D+00  0.312935D+01 -0.121589D+02  0.237724D+00  0.655917D+01
      4  -0.617590D+01 -0.127405D+02  0.172817D+02 -0.825759D+01 -0.133279D+02
      5   0.675767D+01  0.138469D+02 -0.340827D+01  0.138704D+02  0.488775D+01
      6   0.882644D+01  0.170771D+02 -0.897872D+00  0.168921D+02  0.321656D+00
                 6             7             8             9            10 
      1   0.154015D+02 -0.464254D+01  0.162752D+02  0.762136D+01 -0.198667D+02
      2  -0.990696D+01  0.153986D+02 -0.115365D+02 -0.115130D+02  0.127026D+02
      3  -0.549459D+01 -0.107560D+02 -0.473861D+01  0.389167D+01  0.716414D+01
      4   0.139257D+02  0.201851D+02  0.186408D+02 -0.819172D+01 -0.121789D+02
      5  -0.828939D+01 -0.298741D+01 -0.102969D+02  0.187287D+01 -0.127806D+02
      6  -0.102402D+02 -0.247448D+01 -0.154042D+02  0.120984D+01 -0.937727D+01
                11            12            13            14            15 
      1  -0.787263D+00 -0.473796D+01 -0.479308D+01 -0.431237D+01 -0.208059D+02
      2   0.211873D+01 -0.387096D+01  0.294157D+01  0.434216D+01  0.105204D+02
      3  -0.133147D+01  0.860892D+01  0.185151D+01 -0.297891D-01  0.102855D+02
      4  -0.556228D+01 -0.209931D+02 -0.975199D+01  0.129163D+01 -0.578617D+01
      5  -0.196323D+02 -0.123293D+02 -0.197771D+02  0.868293D+00  0.133809D+01
      6  -0.768442D+01 -0.603161D+01 -0.759457D+01  0.404980D+00 -0.159137D+01
                16            17            18            19            20 
      1  -0.725289D+01 -0.237331D+02 -0.146776D+02  0.722106D+01  0.181498D+01
      2  -0.574211D+00  0.144771D+02  0.105285D+02 -0.552483D+01 -0.611632D+01
      3   0.782711D+01  0.925594D+01  0.414911D+01 -0.169623D+01  0.430134D+01
      4  -0.261497D+02 -0.599128D+01 -0.262454D+01  0.151435D+02 -0.217776D+00
      5  -0.184124D+02  0.112102D+01 -0.173820D+01  0.976780D+01  0.117313D+02
      6  -0.660152D+01 -0.814296D+00 -0.155722D+01  0.372895D+01 -0.763302D+00
                21            22            23            24            25 
      1   0.317792D+01  0.430491D+01 -0.335424D+01  0.116158D+02 -0.600751D+00
      2  -0.217034D+01 -0.563098D+01  0.318940D+01 -0.182715D+01 -0.105997D+01
      3  -0.100759D+01  0.132608D+01  0.164839D+00 -0.978862D+01  0.166073D+01
      4   0.132897D+02  0.397104D+01  0.684284D+01  0.903690D+00  0.759128D+01
      5   0.690484D+01  0.107303D+02 -0.415793D+01  0.151666D+01  0.444405D+01
      6   0.427122D+01 -0.166643D+01  0.151105D+01 -0.200625D+01  0.266764D+01
                26            27            28            29            30 
      1   0.107383D+02  0.701522D+01 -0.135417D+02 -0.315309D-01  0.448013D+01
      2  -0.309979D+01  0.814747D-01  0.296106D+01  0.834076D-01 -0.446321D+01
      3  -0.763848D+01 -0.709669D+01  0.105807D+02 -0.518767D-01 -0.169257D-01
      4  -0.304414D+00 -0.128183D+00  0.172286D-01 -0.810723D+01  0.183983D+01
      5  -0.648590D+00 -0.279964D+01  0.207921D+01  0.944061D+00 -0.345050D+01
      6  -0.155728D+01 -0.549830D+01  0.896467D+00 -0.223204D+01  0.334311D-01
                31            32            33            34            35 
      1  -0.793938D-02  0.275883D+01  0.192602D+01  0.698702D+01  0.283583D+01
      2   0.361298D-01 -0.131565D+02 -0.186820D+01 -0.694050D+01 -0.280439D+01
      3  -0.281904D-01  0.103976D+02 -0.578219D-01 -0.465203D-01 -0.314419D-01
      4  -0.808796D+01  0.145934D+00 -0.459855D+01  0.280013D+01 -0.690931D+01
      5   0.875228D+00 -0.226435D+01  0.568595D-01  0.374281D+01 -0.933331D-02
      6  -0.228720D+01 -0.106267D+01 -0.336312D+01 -0.262334D-01  0.370566D+01
                36            37            38            39            40 
      1   0.802772D+00  0.387973D+01 -0.311816D+01 -0.909535D+00 -0.588021D+01
      2   0.740347D+00 -0.535432D+01  0.268186D+01 -0.873614D+01  0.244637D+01
      3  -0.154312D+01  0.147459D+01  0.436305D+00  0.964567D+01  0.343384D+01
      4  -0.218728D-01  0.705758D+01  0.848014D+01 -0.748717D+01  0.446753D+01
      5   0.307294D-01 -0.174019D+01 -0.247117D+01  0.227917D+00 -0.365470D+01
      6  -0.265323D-01 -0.221883D+01 -0.124733D+02  0.342805D+01 -0.131528D+02
                41            42            43            44            45 
      1   0.539404D+01 -0.482963D+01  0.140225D+01 -0.349410D+01  0.580869D+00
      2  -0.232921D+01  0.647629D+01 -0.847359D+01  0.701187D+01  0.660809D+01
      3  -0.306483D+01 -0.164665D+01  0.707134D+01 -0.351778D+01 -0.718896D+01
      4   0.133684D+02 -0.111722D+02 -0.498492D+01 -0.567746D+01  0.163173D+01
      5  -0.483046D+01  0.610995D+01 -0.634080D+00  0.404280D+01  0.600440D+01
      6  -0.196940D+01  0.489420D+01  0.766633D+00  0.341660D+01  0.132245D+01
                46            47            48            49            50 
      1   0.149311D+02  0.256426D+01  0.119422D+02 -0.197334D+01 -0.338168D+00
      2  -0.145276D+02  0.191122D+01 -0.848487D+01  0.332649D+01  0.174058D+01
      3  -0.403520D+00 -0.447548D+01 -0.345729D+01 -0.135315D+01 -0.140241D+01
      4  -0.953160D+01 -0.259901D+01 -0.930091D+01  0.623011D+00 -0.801219D+01
      5   0.147655D+02 -0.637066D+01  0.784012D+01 -0.510224D+01 -0.788063D+01
      6   0.832512D+00 -0.281711D+01 -0.175180D+01 -0.343429D+01 -0.430458D+01
                51            52            53            54            55 
      1  -0.841257D+01  0.559190D+01 -0.872150D+01  0.630467D+01 -0.243919D+02
      2  -0.697507D+00 -0.503370D+01  0.861765D+00  0.766040D+00  0.180450D+02
      3   0.911007D+01 -0.558200D+00  0.785973D+01 -0.707071D+01  0.634687D+01
      4  -0.502292D+01 -0.547935D+01 -0.525817D+01  0.179978D+01  0.535375D+01
      5   0.926125D+00  0.426598D+01  0.215190D+01 -0.420679D+01 -0.246136D+02
      6  -0.280127D+01 -0.109203D+01 -0.168329D+01  0.453899D+01  0.660628D+01
                56            57            58            59            60 
      1  -0.199356D+01 -0.205617D+02  0.320059D+01 -0.138579D+01  0.173177D+02
      2  -0.946687D+00  0.937362D+01 -0.320471D+01  0.109298D+01 -0.945311D+01
      3   0.294025D+01  0.111881D+02  0.411499D-02  0.292810D+00 -0.786458D+01
      4  -0.194888D+01  0.169303D+02 -0.439689D+01 -0.520957D+01  0.694141D+01
      5   0.144947D+02 -0.130000D+02  0.147387D+02  0.100013D+02 -0.396707D+01
      6  -0.741221D+00  0.318010D+01 -0.620520D+00 -0.100803D+01 -0.115822D+01
                61            62            63            64            65 
      1  -0.256195D+02  0.185973D+02 -0.143182D+02 -0.412865D+01  0.858507D+01
      2   0.154219D+02 -0.115705D+02  0.102196D+02  0.230840D+01 -0.413505D+01
      3   0.101976D+02 -0.702685D+01  0.409858D+01  0.182025D+01 -0.445002D+01
      4   0.195695D+02  0.937965D+01 -0.389353D+01  0.124191D+02 -0.120391D+02
      5  -0.185563D+02 -0.576009D+01 -0.227134D+01  0.177493D+02 -0.150891D+02
      6   0.196403D+01 -0.523784D+00  0.105535D+01 -0.130607D+02  0.989532D+01
                66            67            68            69            70 
      1   0.135338D+02  0.474442D+01  0.870584D+00 -0.180565D+02  0.129939D+02
      2   0.267911D-01 -0.311195D+01 -0.586675D+01  0.157925D+02 -0.995813D+00
      3  -0.135606D+02 -0.163248D+01  0.499617D+01  0.226403D+01 -0.119981D+02
      4  -0.201152D+02 -0.821955D+01  0.102309D+02  0.111337D+01 -0.249083D+02
      5  -0.633869D+01 -0.147737D+02 -0.368534D+01  0.948913D+01 -0.758372D+01
      6   0.201533D+01  0.939398D+01  0.677647D+01 -0.758577D+01  0.504940D+01
                71            72            73            74            75 
      1  -0.215968D+02  0.206995D+01  0.667774D+01 -0.260515D+01 -0.736043D+01
      2   0.196171D+02 -0.620025D+01 -0.880384D+01  0.169024D+01 -0.162535D+01
      3   0.197966D+01  0.413030D+01  0.212610D+01  0.914915D+00  0.898578D+01
      4   0.371545D+01  0.123272D+02 -0.787511D+01  0.917896D+01  0.988599D+01
      5   0.129495D+02  0.245211D+01 -0.553999D+01  0.544216D+01  0.274345D+01
      6  -0.117278D+02 -0.867875D+00  0.721427D+01 -0.973405D+01 -0.393277D+01
                76            77            78            79            80 
      1   0.200571D+01  0.115994D+02  0.802564D+01 -0.307214D+01  0.485672D+01
      2   0.134993D+00 -0.786952D+01 -0.120657D+02 -0.285264D+01 -0.101013D+02
      3  -0.214070D+01 -0.372989D+01  0.404002D+01  0.592479D+01  0.524454D+01
      4   0.635200D+01 -0.586046D+01 -0.459869D+01  0.708048D+01 -0.518985D+00
      5   0.674465D+01 -0.190075D+01 -0.666279D+01  0.706103D+00 -0.472498D+01
      6  -0.101154D+02 -0.497682D+01  0.215478D+01 -0.140640D+01  0.204585D+01
                81            82            83            84            85 
      1   0.162441D+01 -0.247084D+01 -0.706010D+00  0.667560D+01 -0.332967D+01
      2   0.545758D+01  0.527173D+01  0.145315D+01  0.123487D+01  0.704676D+01
      3  -0.708199D+01 -0.280090D+01 -0.747142D+00 -0.791047D+01 -0.371710D+01
      4  -0.285183D+01 -0.775342D+01  0.110027D+01  0.681049D+01 -0.209572D+00
      5   0.613542D+01  0.778826D+01  0.132198D+01 -0.223046D+01  0.958747D+00
      6   0.318855D+00  0.747091D+01 -0.167919D+01  0.366441D+01 -0.414932D+00
                86            87            88            89            90 
      1  -0.169206D+02  0.100503D+02  0.439749D+01  0.617227D+01  0.201118D+01
      2   0.160642D+02 -0.157111D+02  0.299310D+01 -0.866625D+01  0.531920D+01
      3   0.856341D+00  0.566077D+01 -0.739060D+01  0.249398D+01 -0.733038D+01
      4  -0.658828D+00  0.110638D+01  0.723131D+01  0.107023D+00  0.291072D+01
      5  -0.602695D+01  0.998199D+00 -0.105653D+01  0.400396D+00 -0.317667D+01
      6  -0.145408D+02  0.699120D+01  0.360930D+01  0.371256D+01  0.543996D+01
                91            92            93            94            95 
      1  -0.190485D+01  0.450051D+00 -0.231086D+00  0.353073D+01  0.178808D+02
      2   0.224721D+00 -0.197637D+01 -0.452755D+01 -0.794128D+01 -0.229557D+02
      3   0.168013D+01  0.152632D+01  0.475863D+01  0.441056D+01  0.507493D+01
      4  -0.640296D+01 -0.281550D+01 -0.142871D+02 -0.223119D+01 -0.525058D+01
      5  -0.327607D+01 -0.246195D+01 -0.234678D+01 -0.223586D+01  0.155373D+01
      6  -0.147690D+02 -0.365462D+01 -0.727032D+01 -0.328058D+01  0.297306D+02
                96            97            98            99           100 
      1  -0.161734D+02 -0.144000D+01 -0.229616D+02  0.648707D+01 -0.344437D+01
      2   0.287570D+02 -0.275545D+01  0.344621D+02 -0.108058D+02  0.286457D+00
      3  -0.125836D+02  0.419546D+01 -0.115005D+02  0.431870D+01  0.315792D+01
      4  -0.348696D+01 -0.173468D+02 -0.221037D+01 -0.977510D+01  0.713721D+01
      5   0.221675D+00 -0.295690D+01 -0.242875D+01 -0.556224D+00 -0.735512D+01
      6  -0.118404D+02 -0.102815D+02 -0.166349D+02  0.204678D+01  0.120294D+02
               101           102           103           104           105 
      1  -0.371209D+01 -0.111770D+02 -0.614768D+01  0.114455D+02  0.126072D+02
      2   0.582951D+01  0.996393D+01  0.112008D+02 -0.152092D+02 -0.260016D+02
      3  -0.211742D+01  0.121308D+01 -0.505314D+01  0.376370D+01  0.133944D+02
      4  -0.478526D+01  0.108826D+02 -0.695130D+01  0.126214D+02  0.112782D+02
      5  -0.114913D+01 -0.458857D+01 -0.134109D+01  0.960552D+01  0.176824D+01
      6   0.814988D+01  0.910897D+01  0.816044D+01 -0.270467D+02 -0.963695D+01
               106           107           108           109           110 
      1  -0.147912D+02  0.170905D+02  0.620194D+00 -0.707211D+01  0.238815D+01
      2   0.136330D+02 -0.293070D+02 -0.474118D+01  0.106131D+02 -0.185339D+01
      3   0.115828D+01  0.122165D+02  0.412098D+01 -0.354103D+01 -0.534764D+00
      4   0.118881D+02  0.156099D+02  0.126348D+02  0.302109D+01  0.427112D+01
      5  -0.682653D+01  0.489377D+01  0.164740D+00  0.854255D+01  0.406892D+01
      6   0.126765D+02 -0.123558D+02 -0.237070D+01 -0.328262D+01 -0.637444D+01
               111           112           113           114           115 
      1   0.117506D+02  0.491929D+01 -0.140493D+02 -0.632733D+01  0.885077D+01
      2  -0.549441D+01 -0.745435D+01  0.122344D+02  0.137894D+02 -0.237717D+01
      3  -0.625622D+01  0.253506D+01  0.181488D+01 -0.746205D+01 -0.647360D+01
      4  -0.291483D+01  0.534633D+01 -0.603282D+01 -0.654812D+01 -0.475929D+01
      5  -0.362949D+00  0.419922D+01 -0.893393D+01 -0.314748D+01  0.365303D+00
      6  -0.585272D+01 -0.499457D+01  0.111183D+02  0.554591D+01 -0.454694D+01
               116           117           118           119           120 
      1  -0.300855D+01  0.371325D+01 -0.401885D+01 -0.732112D+01  0.211748D+01
      2   0.739761D+01  0.339322D+01  0.518451D+01  0.671419D+01 -0.312158D+01
      3  -0.438906D+01 -0.710647D+01 -0.116566D+01  0.606930D+00  0.100410D+01
      4  -0.499993D+01 -0.335515D+01 -0.238211D+01  0.387441D+01  0.714557D-02
      5  -0.128597D+01 -0.179682D+01  0.683092D+00  0.140087D+01  0.686651D+00
      6   0.233639D+01 -0.594422D+01 -0.207105D+01 -0.235569D+01  0.141915D+01
               121           122           123           124           125 
      1  -0.599412D+01 -0.157837D+02  0.683342D+01  0.393174D+01  0.111790D+02
      2   0.176062D+01  0.290342D+02 -0.100159D+02 -0.181659D+01 -0.152907D+02
      3   0.423350D+01 -0.132505D+02  0.318248D+01 -0.211515D+01  0.411168D+01
      4   0.866934D+01 -0.204424D+02  0.558073D+01 -0.257249D+01  0.105857D+02
      5   0.126920D+00  0.688223D+01 -0.647207D+01  0.304018D+01 -0.917810D+01
      6  -0.727067D+00 -0.108196D+02  0.915783D+01 -0.116499D+01  0.126269D+02
               126           127           128           129           130 
      1  -0.662964D+01  0.344386D+02 -0.130630D+02 -0.108521D+02 -0.720789D+01
      2   0.786936D+01 -0.137818D+02  0.922539D+00  0.446251D+01 -0.348856D+01
      3  -0.123972D+01 -0.206568D+02  0.121404D+02  0.638956D+01  0.106965D+02
      4  -0.762287D+01 -0.334006D+02  0.229865D+02  0.139675D+02  0.222212D+02
      5   0.958478D+01 -0.205971D+02  0.113797D+02  0.142260D+02  0.911046D+01
      6  -0.118247D+02  0.107241D+02 -0.699129D+01 -0.716498D+01 -0.757909D+01
               131           132           133           134           135 
      1   0.424940D+01  0.264021D+01 -0.132521D+02  0.588816D+01  0.625862D+01
      2   0.721355D+01  0.102464D+01  0.627313D+01 -0.136442D+01 -0.403114D+01
      3  -0.114630D+02 -0.366485D+01  0.697899D+01 -0.452374D+01 -0.222749D+01
      4  -0.233878D+02 -0.101897D+02  0.194547D+02 -0.152825D+02 -0.159625D+02
      5  -0.896441D+01 -0.748454D+01  0.196947D+02 -0.134579D+02 -0.189576D+02
      6   0.745680D+01  0.780448D+01 -0.112173D+02  0.113539D+02  0.123608D+02
               136           137           138           139           140 
      1   0.226879D+02  0.864091D+01 -0.458395D+01  0.153207D+02  0.755510D+01
      2  -0.130086D+02 -0.447810D+01  0.311384D+01 -0.755600D+01 -0.282117D+01
      3  -0.967926D+01 -0.416282D+01  0.147011D+01 -0.776473D+01 -0.473393D+01
      4   0.789030D+01  0.735952D+01 -0.404748D+01  0.103474D+02  0.187669D+02
      5  -0.546997D+01 -0.421718D+01  0.757278D+01 -0.593018D+01 -0.875612D+01
      6  -0.130627D+01 -0.750461D+00  0.261792D+00 -0.976708D+00 -0.234226D+01
               141           142           143           144           145 
      1  -0.518203D+01 -0.113711D+02 -0.624793D+01  0.831657D+01  0.644820D+02
      2   0.236600D+01  0.705218D+01  0.494437D+01 -0.705374D+01 -0.371109D+02
      3   0.281602D+01  0.431889D+01  0.130356D+01 -0.126283D+01 -0.273711D+02
      4  -0.769523D+01 -0.708798D+01 -0.111761D+02  0.702069D+01 -0.161105D+02
      5   0.796204D+01  0.130051D+02  0.856584D+01 -0.150624D+02  0.293607D+02
      6   0.232281D+01  0.684057D+00  0.255935D+01 -0.148063D+01 -0.626791D+01
               146           147           148           149           150 
      1  -0.676890D+01  0.207077D+02 -0.841160D+01  0.815417D+01 -0.371838D+01
      2   0.278224D+01 -0.136159D+02  0.285713D+01 -0.345200D+01  0.179203D+01
      3   0.398666D+01 -0.709181D+01  0.555447D+01 -0.470217D+01  0.192635D+01
      4   0.102879D+02 -0.616821D+01  0.154942D+02 -0.713958D+01  0.487839D+01
      5  -0.480914D+01  0.185988D+02 -0.598557D+01  0.450449D+01 -0.329610D+01
      6   0.198176D+01 -0.346830D+01  0.400937D+01 -0.197576D+01  0.372054D+01
               151           152           153           154           155 
      1   0.288027D+02 -0.394673D+01  0.171028D+02  0.638698D+01 -0.413893D+01
      2  -0.205647D+02  0.217482D+01 -0.148075D+02  0.176457D+01  0.124215D+02
      3  -0.823806D+01  0.177190D+01 -0.229531D+01 -0.815155D+01 -0.828258D+01
      4  -0.968872D+01  0.435909D+01 -0.533923D+01  0.249122D+02  0.123943D+02
      5   0.279273D+02 -0.321291D+01  0.220326D+02  0.572300D+01  0.185488D+01
      6  -0.537869D+01  0.320503D+01 -0.471868D+01  0.103104D+02  0.454023D+01
               156           157           158           159           160 
      1   0.175021D+01 -0.354187D+01 -0.525052D+01 -0.120855D+01  0.100524D+01
      2   0.151917D+01  0.831550D+01  0.115195D+02  0.205414D+01  0.150088D+01
      3  -0.326937D+01 -0.477363D+01 -0.626898D+01 -0.845599D+00 -0.250612D+01
      4   0.999443D+01  0.735526D+01  0.101862D+02  0.314930D+01  0.152337D+02
      5   0.489533D+01  0.108522D+01  0.182213D+01  0.989836D+00  0.580561D+01
      6   0.887446D+01  0.257526D+01  0.308808D+01  0.503973D+01  0.108709D+02
               161           162           163           164           165 
      1  -0.256774D+01 -0.234561D+01 -0.428795D+01  0.445200D+00  0.129326D+00
      2   0.648422D+01  0.364013D+01  0.824995D+01  0.608585D+00 -0.213367D+00
      3  -0.391649D+01 -0.129451D+01 -0.396201D+01 -0.105379D+01  0.840412D-01
      4   0.731083D+01  0.101961D+02  0.228527D+01  0.135047D+02 -0.385621D+01
      5   0.273708D+01  0.551272D+01 -0.196784D+00 -0.279032D+01  0.307818D+01
      6   0.100230D+02  0.143625D+02 -0.384133D+01 -0.569456D+00  0.116859D+01
               166           167           168           169           170 
      1  -0.201903D+01 -0.401329D+02  0.147414D+02  0.198467D+01  0.223447D+02
      2   0.453008D+01  0.681933D+02 -0.220118D+02 -0.244492D+01 -0.307991D+02
      3  -0.251104D+01 -0.280604D+02  0.727046D+01  0.460252D+00  0.845438D+01
      4   0.919532D+01  0.672548D+01 -0.255344D+01 -0.328929D+01 -0.348360D+01
      5  -0.107608D+01 -0.805379D+00  0.773824D+00  0.276975D+01  0.150691D+01
      6  -0.206305D+01 -0.309966D+02  0.191541D+02  0.370397D+01  0.283512D+02
               171           172           173           174           175 
      1  -0.152451D+02  0.179124D+02  0.164836D+01  0.650778D+01  0.379440D+01
      2   0.175487D+02 -0.682079D+01 -0.862425D+01 -0.330118D+01 -0.732631D+01
      3  -0.230364D+01 -0.110916D+02  0.697589D+01 -0.320659D+01  0.353192D+01
      4   0.354883D+01 -0.257381D+02  0.113906D+02 -0.898799D+01  0.585025D+01
      5  -0.123435D+01  0.872396D+01 -0.113756D+01  0.722376D+01 -0.712453D-01
      6  -0.223533D+02 -0.940706D+01  0.178385D+01 -0.817061D+01  0.363035D+00
               176           177           178           179           180 
      1   0.861927D+00  0.114113D+01  0.857869D+01  0.514743D+00  0.290296D+01
      2   0.256016D+01 -0.114411D+01 -0.520891D+01 -0.359459D+01 -0.162647D+01
      3  -0.342209D+01  0.298537D-02 -0.336978D+01  0.307985D+01 -0.127649D+01
      4  -0.788169D+01  0.123680D+01 -0.151113D+02  0.477962D+01 -0.102886D+02
      5   0.178547D+01 -0.486561D+00  0.930030D+01 -0.292175D+01  0.884106D+01
      6  -0.141104D+01  0.268517D+01 -0.109159D+02  0.648131D+01 -0.123188D+02
               181           182           183           184           185 
      1  -0.171104D+01  0.583967D+00  0.126827D+01  0.455609D+01 -0.305042D+02
      2   0.811775D+01 -0.750894D+01 -0.319542D+01 -0.128643D+02  0.562431D+02
      3  -0.640671D+01  0.692498D+01  0.192715D+01  0.830818D+01 -0.257389D+02
      4  -0.119650D+02  0.172377D+02  0.599215D+01  0.151346D+02 -0.256842D+02
      5  -0.262227D+01  0.437860D+01  0.456249D+01  0.315197D+01 -0.716360D+01
      6   0.552665D+01 -0.635818D+01 -0.501744D+01 -0.815213D+01  0.277648D+02
               186           187           188           189           190 
      1  -0.112244D+02  0.443327D+01 -0.165275D+02 -0.113840D+02  0.318931D+02
      2   0.182869D+02 -0.697584D+01  0.245036D+02  0.136852D+02 -0.192680D+02
      3  -0.706245D+01  0.254258D+01 -0.797609D+01 -0.230128D+01 -0.126251D+02
      4  -0.101323D+02  0.782782D+01 -0.144435D+02 -0.111635D+02 -0.719685D+00
      5  -0.465139D+01  0.568459D+01 -0.748045D+01 -0.691581D+01 -0.896269D+01
      6   0.177192D+02 -0.964629D+01  0.253425D+02  0.213611D+02 -0.464156D+00
               191           192           193           194           195 
      1  -0.739865D+01 -0.854583D+01 -0.145155D+02  0.938872D+01  0.660111D+01
      2   0.519252D+01  0.615397D+01  0.893729D+01 -0.729596D+01 -0.433461D+01
      3   0.220613D+01  0.239186D+01  0.557816D+01 -0.209276D+01 -0.226650D+01
      4   0.642463D+01  0.255472D+01  0.707443D+01 -0.114900D+02 -0.435383D+01
      5   0.428141D+01  0.916462D+01  0.621274D+01 -0.644014D+01 -0.619526D+01
      6   0.178905D+00  0.147938D+01  0.487093D+00  0.283689D+00  0.668880D+00
               196           197           198           199           200 
      1  -0.161466D+02  0.707109D+01  0.108019D+02  0.472389D+02  0.123870D+02
      2   0.115643D+02 -0.687570D+01 -0.955805D+01 -0.234817D+02 -0.346213D+01
      3   0.458227D+01 -0.195383D+00 -0.124390D+01 -0.237572D+02 -0.892483D+01
      4   0.332246D+01 -0.631700D+01 -0.247467D+01  0.303638D+02  0.168238D+02
      5   0.146805D+02 -0.552906D+01 -0.151560D+02  0.232795D+02  0.924661D+01
      6   0.248442D+01  0.957167D+00 -0.242319D+01  0.107523D+02  0.513285D+01
               201           202           203           204           205 
      1   0.148002D+02  0.111395D+02  0.701426D+01  0.464985D+01  0.197953D+02
      2  -0.835039D+01 -0.728082D+00  0.142675D+01 -0.111297D+01 -0.123412D+02
      3  -0.644982D+01 -0.104115D+02 -0.844102D+01 -0.353688D+01 -0.745410D+01
      4   0.119203D+02  0.215707D+02  0.176130D+02  0.865100D+01  0.183441D+02
      5   0.158590D+02  0.950389D+01  0.729177D+01  0.624257D+01  0.241505D+02
      6   0.660233D+01  0.720730D+01  0.573181D+01  0.619258D+01  0.107863D+02
               206           207           208           209           210 
      1   0.655326D+01  0.123628D+02 -0.731064D+01  0.853785D+01  0.384106D+01
      2  -0.282569D+01 -0.101311D+02  0.799562D+01 -0.111676D+02 -0.550929D+01
      3  -0.372756D+01 -0.223169D+01 -0.684982D+00  0.262973D+01  0.166823D+01
      4   0.102350D+02  0.124285D+02 -0.383822D+01  0.413519D+01  0.112331D+01
      5   0.868904D+01  0.202018D+02  0.583018D+00 -0.157657D+01  0.463918D-01
      6   0.684743D+01  0.101753D+02  0.368496D+01 -0.472085D+01 -0.371947D+01
               211           212           213           214           215 
      1   0.523275D+01 -0.207889D+02 -0.777958D+01  0.594157D+01 -0.134628D+02
      2  -0.436504D+01  0.346442D+02  0.106514D+02 -0.497743D+01  0.178535D+02
      3  -0.867717D+00 -0.138553D+02 -0.287180D+01 -0.964143D+00 -0.439069D+01
      4   0.648712D+01  0.105242D+02  0.116407D+01  0.282119D+01  0.341572D+01
      5  -0.761824D+00  0.356748D+01  0.398802D+01  0.107824D+01  0.622632D+01
      6  -0.290049D+01  0.108770D+02  0.978488D+01 -0.184663D+01  0.145555D+02
               216           217           218           219           220 
      1  -0.946660D+01  0.144994D+02  0.654890D+01 -0.357322D+01  0.138001D+01
      2   0.106972D+02 -0.549697D-01  0.624101D+01 -0.142857D+01  0.999430D+01
      3  -0.123062D+01 -0.144444D+02 -0.127899D+02  0.500179D+01 -0.113743D+02
      4   0.308986D+01  0.287263D+02  0.253868D+02 -0.126640D+02  0.223066D+02
      5   0.630392D+01 -0.123888D+02 -0.103391D+02  0.100787D+02 -0.812999D+01
      6   0.138932D+02 -0.102102D+02 -0.946110D+01  0.770897D+01 -0.963871D+01
               221           222           223           224           225 
      1  -0.673185D+01  0.183146D+01 -0.278405D+01  0.158488D+01 -0.226365D+01
      2   0.245051D+02 -0.692820D+01 -0.244050D+01 -0.734824D+01  0.433467D+01
      3  -0.177733D+02  0.509674D+01  0.522456D+01  0.576336D+01 -0.207102D+01
      4   0.318458D+02 -0.128294D+02 -0.163871D+02 -0.192475D+02  0.160289D+02
      5  -0.113505D+02  0.804636D+01  0.127031D+02  0.134770D+02 -0.149476D+02
      6  -0.146162D+02  0.117844D+02  0.113351D+02  0.175589D+02 -0.165575D+02
               226           227           228           229           230 
      1  -0.541991D+01  0.905279D+01 -0.666538D+01  0.625349D+01 -0.130817D+02
      2   0.479279D+01 -0.880867D+01  0.414671D+01 -0.516878D+01  0.168861D+02
      3   0.627124D+00 -0.244113D+00  0.251868D+01 -0.108471D+01 -0.380442D+01
      4  -0.102709D+02  0.221363D+01 -0.190301D+01  0.681501D+01 -0.460242D+01
      5   0.345238D+01 -0.186406D+01  0.122284D+01 -0.171659D+01  0.200898D+01
      6  -0.420448D+01  0.117116D+02 -0.832549D+01  0.571486D+01 -0.122622D+02
               231           232           233           234           235 
      1   0.730454D+01 -0.287527D+01  0.542366D+01 -0.686475D+01  0.167485D+01
      2  -0.586965D+01  0.166828D+01 -0.234879D+01  0.113165D+01 -0.464362D+01
      3  -0.143489D+01  0.120699D+01 -0.307487D+01  0.573310D+01  0.296878D+01
      4   0.339543D+01 -0.102728D+01  0.416179D+01 -0.326257D+01  0.272752D+01
      5  -0.564495D+00  0.209208D+01 -0.111193D+01  0.321123D+00 -0.600994D+01
      6   0.899874D+01 -0.450661D+01  0.691863D+01 -0.837048D+01 -0.199114D+01
               236           237           238           239           240 
      1   0.370323D+00 -0.523549D+00 -0.984553D-01  0.142319D+00 -0.128329D+01
      2   0.869995D+00  0.668506D+01  0.141843D+01 -0.379855D+01 -0.570451D+01
      3  -0.124032D+01 -0.616151D+01 -0.131998D+01  0.365623D+01  0.698780D+01
      4   0.242542D+01 -0.128991D+01 -0.223145D+01 -0.566671D+01  0.110744D+01
      5  -0.794814D-01  0.875031D+01  0.218237D+01  0.599951D-01 -0.439522D+01
      6   0.125464D+00  0.300242D+01  0.222136D+01  0.275489D+01 -0.717018D+00
               241           242           243           244           245 
      1   0.314251D+00  0.206338D+01 -0.106294D+02  0.970481D+01 -0.383591D+01
      2   0.504699D+01 -0.280776D+01 -0.172464D+02 -0.575588D+01  0.370355D+01
      3  -0.536124D+01  0.744383D+00  0.278758D+02 -0.394893D+01  0.132353D+00
      4  -0.296559D+01 -0.252313D+01  0.165579D+00 -0.782891D+01  0.784200D+01
      5   0.684730D+01  0.331781D+00 -0.153356D+02  0.665906D+01 -0.612982D+01
      6   0.246878D+01  0.422401D+01 -0.127918D+02 -0.314871D+01  0.282805D+01
               246           247           248           249           250 
      1   0.244432D+01 -0.928603D+01  0.171967D+01 -0.319121D+01 -0.660760D+00
      2  -0.315636D+01  0.837702D+01 -0.238769D+01  0.598523D+01 -0.200003D+01
      3   0.712046D+00  0.909002D+00  0.668014D+00 -0.279403D+01  0.266079D+01
      4  -0.498361D+01  0.553796D+01 -0.152755D+02  0.593631D+01 -0.484097D+01
      5   0.617040D+01 -0.117971D+02  0.780965D+01 -0.970278D+01  0.501291D+01
      6  -0.200562D+01  0.451734D+01 -0.661371D+01  0.403976D+01 -0.193319D+01
               251           252           253           254           255 
      1  -0.717546D+00 -0.108325D+01 -0.555369D+01  0.904657D+00  0.320544D+01
      2   0.268098D+01 -0.456362D+01  0.252545D+01  0.335860D+00  0.182454D+01
      3  -0.196343D+01  0.564688D+01  0.302823D+01 -0.124052D+01 -0.502998D+01
      4   0.339697D+01 -0.482868D+01 -0.338435D+01 -0.262920D+00 -0.116351D+01
      5  -0.530861D+01  0.785829D+01 -0.278962D+01 -0.899922D+00 -0.281998D+00
      6   0.378321D+01 -0.255073D+01  0.648418D+00 -0.194543D+00 -0.181488D+01
               256           257           258           259           260 
      1   0.287574D+01 -0.365026D+01 -0.662841D+01  0.289999D+01 -0.402723D+01
      2  -0.162045D+01 -0.346828D-01 -0.120674D+01 -0.353783D+01 -0.130226D+01
      3  -0.125529D+01  0.368494D+01  0.783516D+01  0.637846D+00  0.532949D+01
      4   0.406253D+01  0.358119D+01  0.342190D+01  0.193808D+01  0.336736D+01
      5   0.170829D+01  0.382714D+01  0.556924D+01  0.519994D+01  0.294193D+01
      6   0.139941D+01  0.536501D+01  0.853729D+01  0.799150D+00  0.596412D+01
               261           262           263           264           265 
      1  -0.167133D+02  0.190574D+02  0.354103D+01 -0.636139D+01  0.156308D+01
      2  -0.112056D+02 -0.169452D+02 -0.630185D+01  0.885163D+01 -0.350676D+01
      3   0.279189D+02 -0.211213D+01  0.276081D+01 -0.249025D+01  0.194368D+01
      4   0.181488D+01 -0.114006D+02  0.536880D+01  0.528834D+01  0.149895D+00
      5   0.164232D+02 -0.173933D+02  0.107332D+01  0.108910D+02 -0.431172D+01
      6   0.113751D+02  0.547614D+01 -0.228051D+01 -0.498387D+01  0.648955D+00
               266           267           268           269           270 
      1   0.537314D+01  0.446188D-01 -0.424141D+01  0.780170D+00  0.200425D+01
      2  -0.434639D+01  0.140936D+01  0.753600D+01 -0.129871D+01 -0.774427D+01
      3  -0.102675D+01 -0.145398D+01 -0.329459D+01  0.518541D+00  0.574002D+01
      4   0.136767D+01  0.128818D+01  0.170064D+01  0.704696D+00 -0.178436D+01
      5   0.422387D+00  0.283090D+01  0.805687D+01  0.108247D+01 -0.738586D+01
      6  -0.207406D+01 -0.763993D+00 -0.232542D+01  0.772582D+00  0.384764D+01
               271           272           273           274           275 
      1  -0.504465D+00 -0.583973D+01 -0.782972D+01 -0.145722D+01 -0.292315D+01
      2  -0.411875D+01  0.549078D+01 -0.128788D+01  0.120144D+01  0.733705D+00
      3   0.462321D+01  0.348947D+00  0.911760D+01  0.255781D+00  0.218945D+01
      4   0.420492D+01 -0.208720D+01  0.243348D+01 -0.149954D+00  0.175403D+01
      5   0.168197D+01 -0.104877D+01  0.226370D+01 -0.350707D+00  0.190061D+01
      6   0.176710D+01  0.557685D+01  0.816338D+01  0.249542D+01  0.312112D+01
               276           277           278           279           280 
      1  -0.251208D+01 -0.263544D+01 -0.599362D+01 -0.157794D+02  0.124784D+02
      2   0.696449D+00 -0.615047D+00  0.170350D+01 -0.120923D+02 -0.115495D+02
      3   0.181563D+01  0.325049D+01  0.429012D+01  0.278718D+02 -0.928809D+00
      4   0.140632D+01  0.323453D+01 -0.128083D+01  0.270101D+01  0.173134D+02
      5   0.727715D+00  0.369228D+01 -0.691381D+00 -0.349980D+01 -0.152474D+02
      6   0.587915D+01  0.139997D+01  0.753899D+01  0.197399D+02 -0.873105D+01
               281           282           283           284           285 
      1  -0.368683D+01 -0.249747D+01  0.483683D+00  0.403825D+01 -0.138493D+01
      2   0.639062D+01  0.523970D+01  0.138205D+01 -0.183291D+01  0.607215D+00
      3  -0.270379D+01 -0.274223D+01 -0.186573D+01 -0.220534D+01  0.777712D+00
      4   0.647165D+01 -0.839112D+01  0.322737D+01  0.273701D+01 -0.829982D+00
      5  -0.440419D+01  0.954813D+01 -0.947481D-01 -0.361711D+00  0.221711D-01
      6  -0.531042D+01  0.766297D+01 -0.124691D+01  0.983602D+00  0.632302D+00
               286           287           288           289           290 
      1  -0.233191D+01 -0.156272D+01  0.464591D+00 -0.756539D+00  0.627346D+01
      2   0.536627D+01  0.290544D+01 -0.621610D+01 -0.388971D+01 -0.660369D+01
      3  -0.303436D+01 -0.134272D+01  0.575151D+01  0.464625D+01  0.330227D+00
      4  -0.431038D+01 -0.113556D+01  0.404802D+01 -0.306389D+01  0.803890D+00
      5   0.734475D+01  0.726025D+00 -0.627523D+01  0.226551D+01 -0.548939D+00
      6   0.411905D+01  0.164993D+01 -0.567303D+01 -0.344530D+01  0.526090D+01
               291           292           293           294           295 
      1  -0.630340D+01  0.163642D+01  0.107071D-02  0.138381D+00 -0.244906D+01
      2  -0.291111D+01 -0.199892D+01 -0.228887D+01 -0.667453D+00 -0.180816D+01
      3   0.921451D+01  0.362500D+00  0.228780D+01  0.529071D+00  0.425723D+01
      4  -0.413578D+01  0.337912D+00 -0.203202D+01  0.995927D+00 -0.337754D+01
      5   0.473064D+01 -0.416676D+00  0.239339D+01 -0.101997D+01  0.414274D+01
      6  -0.833460D+01  0.225074D+01 -0.684234D+00  0.361350D+01 -0.233178D+01
               296           297           298           299           300 
      1   0.561335D+01 -0.141791D+02  0.286740D+01  0.185518D+01 -0.305788D+00
      2  -0.237416D+01 -0.137887D+02  0.449635D+00 -0.754723D+00  0.285933D+00
      3  -0.323919D+01  0.279678D+02 -0.331704D+01 -0.110045D+01  0.198543D-01
      4  -0.100814D+00 -0.325768D+01  0.636147D+01  0.664100D+01  0.367733D+01
      5  -0.205899D+00  0.163074D+01  0.188213D+01  0.419200D+01  0.322916D+01
      6   0.703208D+01 -0.199670D+02  0.206645D+01  0.266369D+01  0.177203D+01
               301           302           303           304           305 
      1   0.800802D+01 -0.414259D+01 -0.311750D+00 -0.267651D+01 -0.182683D+01
      2  -0.602615D+01  0.400626D+01 -0.260504D+01  0.568322D+00 -0.746760D+00
      3  -0.198186D+01  0.136337D+00  0.291679D+01  0.210818D+01  0.257359D+01
      4   0.702219D+01  0.183806D+02  0.858775D+01  0.352468D+01  0.486498D+01
      5   0.928979D+01  0.958473D+01  0.951937D+01  0.333599D+01  0.522212D+01
      6   0.571635D+01  0.109029D+02  0.705367D+01  0.182523D+01  0.574790D+01
               306           307           308           309           310 
      1  -0.367398D+01 -0.519333D+01 -0.163225D+01  0.133702D+01 -0.541456D+01
      2  -0.204491D+01  0.265204D+01  0.698669D+00  0.160655D+01  0.455113D+01
      3   0.571889D+01  0.254129D+01  0.933585D+00 -0.294357D+01  0.863431D+00
      4   0.511272D+01  0.165214D+00  0.647323D+00  0.185549D+00  0.341961D+01
      5   0.711194D+01 -0.180866D+01 -0.897305D+00  0.112568D+01 -0.387109D+01
      6   0.448633D+01 -0.181806D+01  0.632177D+00 -0.752979D-01  0.153710D+01
               311           312           313           314           315 
      1  -0.335366D+01  0.504172D+01  0.273327D+01  0.299042D+01 -0.153994D+02
      2  -0.956267D+00  0.377004D+01 -0.475730D+01  0.199149D+01 -0.124580D+02
      3   0.430993D+01 -0.881176D+01  0.202403D+01 -0.498191D+01  0.278574D+02
      4  -0.312706D+01  0.453965D+01 -0.109771D+01  0.349390D+01 -0.293686D+01
      5   0.431281D+01 -0.748090D+01  0.620515D+01 -0.288536D+01  0.187384D+02
      6  -0.381805D+01  0.703939D+01 -0.772338D+00  0.497822D+01 -0.686246D+01
               316           317           318           319           320 
      1  -0.564211D+01 -0.705785D+01 -0.462606D+01 -0.683628D+01 -0.176416D+02
      2   0.563290D+01  0.572310D+01  0.261429D+01  0.467052D+01  0.208059D+02
      3   0.920545D-02  0.133475D+01  0.201177D+01  0.216576D+01 -0.316430D+01
      4   0.548163D+01 -0.860395D-01 -0.811376D+00  0.535302D+01 -0.250499D+01
      5   0.232689D+01 -0.235068D+00 -0.460162D+00  0.108187D+01 -0.113824D+01
      6   0.118659D+01  0.889536D+01  0.580686D+01  0.312415D+01  0.163153D+02
               321           322           323           324           325 
      1  -0.971017D+01 -0.111514D+01 -0.749984D+01 -0.789797D+01  0.233615D+01
      2   0.768494D+01  0.800908D+00  0.423561D+01  0.225888D+01 -0.476981D+01
      3   0.202523D+01  0.314235D+00  0.326423D+01  0.563909D+01  0.243366D+01
      4  -0.413700D+00 -0.652449D+00  0.167238D+01  0.834811D+00 -0.581218D+00
      5  -0.187051D+01  0.980249D+00 -0.420708D+00 -0.174829D+01 -0.525477D+01
      6   0.107179D+02  0.288887D+01  0.791804D+01  0.813105D+01 -0.133184D+00
               326           327           328           329           330 
      1  -0.213323D+00 -0.953368D+00  0.245729D+01 -0.269826D+01  0.816653D+00
      2  -0.691813D+00  0.514811D+01 -0.340452D+01 -0.158549D+01  0.749138D+01
      3   0.905136D+00 -0.419474D+01  0.947228D+00  0.428375D+01 -0.830803D+01
      4   0.641020D+00 -0.547235D+00 -0.320264D+01  0.558294D+01 -0.372327D+00
      5  -0.148835D+01  0.789637D+01 -0.417264D+01 -0.429401D+00  0.658957D+01
      6   0.712215D+00 -0.806205D+00  0.215569D+01 -0.196813D+01  0.311743D+00
               331           332           333 
      1  -0.702108D+00 -0.688191D+00 -0.110075D+02
      2   0.571144D+01  0.274582D+01 -0.169448D+02
      3  -0.500933D+01 -0.205763D+01  0.279523D+02
      4   0.228929D+01 -0.294039D+01  0.146936D+01
      5   0.744124D+01  0.472174D+00 -0.181319D+02
      6  -0.165175D+01  0.373400D+01  0.850916D+01
 Leave Link  716 at Fri Jul  9 01:54:15 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.154702D+03 -0.205918D-01  0.245482D-01
      2  -0.205918D-01  0.154640D+03  0.172291D-01
      3   0.245482D-01  0.172291D-01  0.120739D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.532982D+01 -0.174534D-01  0.914840D-01
      2  -0.125316D+00  0.520623D+01 -0.230390D-01
      3   0.923790D-01 -0.134432D+00 -0.814731D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.319277D+02 -0.784209D+02 -0.137351D+00
      2  -0.319047D+02  0.784201D+02  0.128666D+00
      3  -0.230180D-01  0.822741D-03  0.868468D-02
      4  -0.782508D+02 -0.316632D+02 -0.896422D-01
      5  -0.700850D-01  0.513563D+01  0.103858D+00
      6  -0.527377D+01  0.117133D+00  0.284773D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.478553D+00  0.150354D+01 -0.148820D+01  0.868713D+00  0.847711D+00
      2   0.150354D+01  0.163174D+01 -0.329263D+01  0.847711D+00  0.319958D+01
      3  -0.148820D+01 -0.329263D+01 -0.136575D+00 -0.342150D+01 -0.309074D+00
                 6             7             8             9            10 
      1  -0.342150D+01 -0.177214D+01 -0.459607D+01  0.283642D+00  0.400801D+01
      2  -0.309074D+00 -0.459607D+01 -0.979205D+00  0.280616D+01  0.474687D+00
      3   0.176894D+01  0.283642D+00  0.280616D+01 -0.230836D+00  0.214777D+01
                11            12            13            14            15 
      1   0.474687D+00  0.214777D+01  0.152923D+01  0.935595D+00  0.315086D+01
      2   0.576927D+00  0.328335D+01  0.935595D+00 -0.410601D+00 -0.347772D+00
      3   0.328335D+01  0.170128D+01  0.315086D+01 -0.347772D+00 -0.578310D+00
                16            17            18            19            20 
      1   0.352040D+01  0.419977D+01  0.285985D+01 -0.952190D+01 -0.178900D+01
      2   0.419977D+01 -0.599850D+00 -0.407272D+00 -0.178900D+01  0.319686D+00
      3   0.285985D+01 -0.407272D+00  0.226701D+00 -0.437399D+01 -0.238101D+01
                21            22            23            24            25 
      1  -0.437399D+01 -0.413368D+01 -0.421646D+00 -0.282498D+01 -0.340756D+01
      2  -0.238101D+01 -0.421646D+00 -0.125238D+01  0.220867D-01 -0.157912D+01
      3  -0.197603D+01 -0.282498D+01  0.220867D-01  0.312993D+00 -0.225950D+01
                26            27            28            29            30 
      1  -0.157912D+01 -0.225950D+01 -0.569321D+00  0.141264D+01  0.206810D-01
      2  -0.429334D-01  0.983942D+00  0.141264D+01  0.555287D+00 -0.157398D+01
      3   0.983942D+00  0.525066D+00  0.206810D-01 -0.157398D+01 -0.593198D-02
                31            32            33            34            35 
      1   0.140258D+01  0.553057D+00  0.157612D+01  0.696877D-02 -0.820541D-02
      2   0.553057D+00 -0.137960D+01 -0.914418D-02 -0.820541D-02  0.510523D-02
      3   0.157612D+01 -0.914418D-02 -0.196498D-02  0.348900D-02  0.213685D-02
                36            37            38            39            40 
      1   0.348900D-02 -0.196154D+01 -0.211304D+01  0.162013D+01 -0.820771D+00
      2   0.213685D-02 -0.211304D+01 -0.565767D+01  0.355500D+01 -0.357652D+01
      3   0.115007D-01  0.162013D+01  0.355500D+01 -0.225614D+00  0.311496D+01
                41            42            43            44            45 
      1  -0.357652D+01  0.311496D+01  0.109696D+01  0.222264D+01  0.365437D+00
      2  -0.669117D+01  0.272699D+01  0.222264D+01  0.234622D+01 -0.240493D+01
      3   0.272699D+01 -0.199082D+01  0.365437D+00 -0.240493D+01 -0.543669D+00
                46            47            48            49            50 
      1   0.105174D+02  0.924139D+00  0.535034D+01 -0.153756D+01 -0.748689D-01
      2   0.924139D+00 -0.193275D+00 -0.981757D+00 -0.748689D-01 -0.132150D+01
      3   0.535034D+01 -0.981757D+00  0.184065D+01 -0.138902D+01 -0.100439D+01
                51            52            53            54            55 
      1  -0.138902D+01  0.393549D+01 -0.574261D+00  0.185761D+01 -0.420284D+01
      2  -0.100439D+01 -0.574261D+00 -0.490393D+00  0.151263D+01 -0.260074D+00
      3   0.786946D+00  0.185761D+01  0.151263D+01 -0.539112D+00 -0.364140D+01
                56            57            58            59            60 
      1  -0.260074D+00 -0.364140D+01  0.737545D+00 -0.427024D+00  0.214049D+01
      2  -0.346969D+00  0.227022D+01 -0.427024D+00 -0.792392D+00  0.173696D+01
      3   0.227022D+01 -0.150931D+01  0.214049D+01  0.173696D+01 -0.949667D+00
                61            62            63            64            65 
      1  -0.539486D+01  0.266971D+01 -0.264244D+01 -0.171621D+01  0.190751D+01
      2   0.266971D+01  0.239972D+01 -0.112161D+01  0.190751D+01 -0.149983D+01
      3  -0.264244D+01 -0.112161D+01 -0.260118D+00  0.314254D+01 -0.266889D+01
                66            67            68            69            70 
      1   0.314254D+01  0.113932D+01 -0.839840D+00 -0.274477D+01  0.411704D+01
      2  -0.266889D+01 -0.839840D+00  0.218688D+01 -0.126141D+01 -0.388243D+01
      3  -0.336016D+00 -0.274477D+01 -0.126141D+01  0.175711D+01 -0.106833D+01
                71            72            73            74            75 
      1  -0.388243D+01 -0.106833D+01  0.390828D+01 -0.379663D+01 -0.332201D+01
      2  -0.121031D+01  0.270469D+01 -0.379663D+01  0.540459D+01  0.340533D+01
      3   0.270469D+01  0.270268D+00 -0.332201D+01  0.340533D+01  0.711916D+00
                76            77            78            79            80 
      1  -0.201386D+01  0.372296D+01  0.297088D+01 -0.226346D+01  0.223415D+01
      2   0.372296D+01 -0.327506D+01 -0.101011D+01  0.223415D+01 -0.119607D+01
      3   0.297088D+01 -0.101011D+01 -0.185626D+01  0.244917D+00 -0.243307D+01
                81            82            83            84            85 
      1   0.244917D+00 -0.104133D+01  0.790788D+00  0.117911D+01  0.136239D+01
      2  -0.243307D+01  0.790788D+00  0.974303D+00 -0.344791D+00  0.339053D+01
      3   0.522537D+00  0.117911D+01 -0.344791D+00  0.124099D+01 -0.798356D+00
                86            87            88            89            90 
      1   0.339053D+01 -0.798356D+00  0.531768D+00 -0.660108D+00  0.194723D+01
      2   0.923592D+01 -0.539306D+01 -0.660108D+00 -0.390534D+01  0.143783D+01
      3  -0.539306D+01  0.151797D+01  0.194723D+01  0.143783D+01  0.596444D+00
                91            92            93            94            95 
      1  -0.110217D+01 -0.371915D+00 -0.250197D+01 -0.517727D+00 -0.120332D+01
      2  -0.371915D+00 -0.201007D+00 -0.512417D+00 -0.120332D+01 -0.385375D+01
      3  -0.250197D+01 -0.512417D+00 -0.137256D+01 -0.607370D+00  0.432264D+01
                96            97            98            99           100 
      1  -0.607370D+00 -0.329930D+01 -0.332837D+00 -0.180978D+01  0.145537D+01
      2   0.432264D+01 -0.332837D+00  0.619082D+01 -0.230344D+01 -0.539668D+00
      3  -0.119873D+01 -0.180978D+01 -0.230344D+01  0.194599D+00  0.231337D+01
               101           102           103           104           105 
      1  -0.539668D+00  0.231337D+01 -0.998475D+00  0.184400D+01  0.115403D+01
      2   0.919582D+00  0.129036D+01  0.184400D+01 -0.302066D+01 -0.415347D+01
      3   0.129036D+01  0.161889D+01  0.115403D+01 -0.415347D+01 -0.830013D+00
               106           107           108           109           110 
      1   0.284812D+01  0.201724D+01  0.230861D+01 -0.390825D+00  0.240575D+01
      2   0.201724D+01 -0.573225D+01 -0.172435D+01  0.240575D+01 -0.230093D+01
      3   0.230861D+01 -0.172435D+01 -0.237324D+00 -0.427440D+00 -0.194480D+01
               111           112           113           114           115 
      1  -0.427440D+00  0.362248D+01 -0.450203D+01 -0.239219D+01  0.122310D+00
      2  -0.194480D+01 -0.450203D+01  0.681598D+01  0.477993D+01 -0.167113D+01
      3  -0.162598D+01 -0.239219D+01  0.477993D+01  0.121812D+01 -0.225506D+01
               116           117           118           119           120 
      1  -0.167113D+01 -0.225506D+01 -0.498412D+00 -0.917271D+00  0.325454D+00
      2   0.330277D+01  0.872192D+00 -0.917271D+00 -0.468563D+00  0.415109D+00
      3   0.872192D+00 -0.550646D+00  0.325454D+00  0.415109D+00 -0.281949D+00
               121           122           123           124           125 
      1  -0.149658D+01  0.465171D+00  0.116586D+00  0.806982D+00  0.254128D+00
      2   0.465171D+00 -0.503161D+01  0.167574D+01  0.254128D+00  0.277790D+01
      3   0.116586D+00  0.167574D+01 -0.148221D+01  0.213262D+00 -0.201666D+01
               126           127           128           129           130 
      1   0.213262D+00  0.644601D+01 -0.298262D+01 -0.225548D+01 -0.245331D+01
      2  -0.201666D+01 -0.298262D+01  0.252001D+01  0.132064D+01  0.252291D+01
      3   0.217765D+01 -0.225548D+01  0.132064D+01  0.169160D+01  0.124167D+01
               131           132           133           134           135 
      1   0.252291D+01  0.124167D+01 -0.349413D+01  0.242202D+01  0.259359D+01
      2  -0.324913D+01 -0.109603D+01  0.242202D+01 -0.181619D+01 -0.208213D+01
      3  -0.109603D+01 -0.116333D+01  0.259359D+01 -0.208213D+01 -0.268658D+01
               136           137           138           139           140 
      1   0.295918D+01  0.124273D+01 -0.718191D+00  0.231389D+01  0.122502D+01
      2   0.124273D+01  0.999392D+00 -0.520497D+00  0.122502D+01  0.294346D+01
      3  -0.718191D+00 -0.520497D+00  0.863395D+00 -0.774490D+00 -0.124865D+01
               141           142           143           144           145 
      1  -0.774490D+00 -0.151591D+01 -0.954677D+00  0.157737D+01  0.905109D+01
      2  -0.124865D+01 -0.954677D+00 -0.201119D+01  0.123882D+01 -0.113911D+01
      3   0.121108D+01  0.157737D+01  0.123882D+01 -0.216482D+01  0.296619D+01
               146           147           148           149           150 
      1  -0.113911D+01  0.296619D+01 -0.153580D+01  0.168261D+01 -0.631520D+00
      2   0.130030D+01 -0.555038D+00  0.168261D+01 -0.859776D+00  0.397741D+00
      3  -0.555038D+00  0.204942D+01 -0.631520D+00  0.397741D+00 -0.402366D+00
               151           152           153           154           155 
      1   0.510278D+01 -0.859777D+00  0.331471D+01  0.389536D+01  0.128625D+01
      2  -0.859777D+00  0.230069D+00 -0.384790D+00  0.128625D+01  0.225291D+01
      3   0.331471D+01 -0.384790D+00  0.267050D+01  0.159211D+01  0.606301D+00
               156           157           158           159           160 
      1   0.159211D+01  0.778554D+00  0.133485D+01  0.307386D+00  0.253070D+01
      2   0.606301D+00  0.133485D+01  0.164884D+01  0.471092D+00  0.711234D+00
      3   0.142542D+01  0.307386D+00  0.471092D+00  0.504853D+00  0.165958D+01
               161           162           163           164           165 
      1   0.711234D+00  0.165958D+01  0.297473D+00  0.153449D+01 -0.307707D+00
      2   0.109065D+01  0.120240D+01  0.153449D+01  0.192429D+00 -0.123526D+00
      3   0.120240D+01  0.219911D+01 -0.307707D+00 -0.123526D+00  0.179214D+00
               166           167           168           169           170 
      1   0.123681D+01  0.636605D+00 -0.179908D+00 -0.139153D+00 -0.497083D+00
      2   0.636605D+00  0.933433D+01 -0.306609D+01 -0.497083D+00 -0.521392D+01
      3  -0.179908D+00 -0.306609D+01  0.206995D+01  0.509119D+00  0.329334D+01
               171           172           173           174           175 
      1   0.509119D+00 -0.459751D+01  0.103445D+01 -0.170082D+01  0.315465D+00
      2   0.329334D+01  0.103445D+01 -0.191267D+01  0.234075D+00 -0.117003D+01
      3  -0.265505D+01 -0.170082D+01  0.234075D+00 -0.148419D+01 -0.187216D-01
               176           177           178           179           180 
      1  -0.117003D+01 -0.187216D-01 -0.276820D+01  0.262471D+00 -0.188508D+01
      2   0.544563D+00 -0.320902D+00  0.262471D+00 -0.798524D+00  0.751179D+00
      3  -0.320902D+00  0.145544D+00 -0.188508D+01  0.751179D+00 -0.216815D+01
               181           182           183           184           185 
      1  -0.151976D+01  0.191587D+01  0.530035D+00  0.175584D+01 -0.215553D+01
      2   0.191587D+01 -0.168903D+01 -0.800701D+00 -0.215553D+01  0.837462D+01
      3   0.530035D+00 -0.800701D+00 -0.702732D+00 -0.850771D+00  0.281919D+01
               186           187           188           189           190 
      1  -0.850771D+00  0.700300D+00 -0.166433D+01 -0.132920D+01 -0.417633D+01
      2   0.281919D+01 -0.166433D+01  0.460603D+01  0.305038D+01  0.898686D+00
      3   0.196550D+01 -0.132920D+01  0.305038D+01  0.266053D+01  0.115288D+01
               191           192           193           194           195 
      1   0.898686D+00  0.115288D+01  0.189688D+01 -0.106008D+01 -0.824006D+00
      2  -0.105797D+01 -0.546607D+00 -0.106008D+01  0.216757D+01  0.913139D+00
      3  -0.546607D+00 -0.113579D+01 -0.824006D+00  0.913139D+00  0.958835D+00
               196           197           198           199           200 
      1   0.203927D+01 -0.947292D+00 -0.184604D+01 -0.763418D+01 -0.239134D+01
      2  -0.947292D+00  0.149807D+01  0.822236D+00 -0.239134D+01 -0.183597D+01
      3  -0.184604D+01  0.822236D+00  0.219412D+01 -0.252555D+01 -0.111446D+01
               201           202           203           204           205 
      1  -0.252555D+01 -0.263302D+01 -0.228495D+01 -0.114650D+01 -0.434869D+01
      2  -0.111446D+01 -0.228495D+01 -0.225291D+01 -0.828773D+00 -0.192034D+01
      3  -0.186713D+01 -0.114650D+01 -0.828773D+00 -0.873138D+00 -0.309360D+01
               206           207           208           209           210 
      1  -0.192034D+01 -0.309360D+01  0.131687D+01 -0.893546D+00 -0.548226D+00
      2  -0.958933D+00 -0.120806D+01 -0.893546D+00  0.125310D+01  0.689225D+00
      3  -0.120806D+01 -0.268413D+01 -0.548226D+00  0.689225D+00  0.626716D+00
               211           212           213           214           215 
      1  -0.117977D+01  0.260535D+00  0.404322D+00 -0.105015D+01  0.707899D+00
      2   0.260535D+00 -0.494590D+01 -0.147620D+01  0.707899D+00 -0.247393D+01
      3   0.404322D+00 -0.147620D+01 -0.134710D+01  0.307008D+00 -0.200095D+01
               216           217           218           219           220 
      1   0.307008D+00 -0.426252D+01 -0.289796D+01  0.151984D+01 -0.236754D+01
      2  -0.200095D+01 -0.289796D+01 -0.290195D+01  0.137401D+01 -0.282569D+01
      3  -0.217737D+01  0.151984D+01  0.137401D+01 -0.132925D+01  0.131968D+01
               221           222           223           224           225 
      1  -0.282569D+01  0.131968D+01  0.209703D+01  0.240793D+01 -0.193263D+01
      2  -0.542379D+01  0.179591D+01  0.240793D+01  0.300236D+01 -0.261398D+01
      3   0.179591D+01 -0.155443D+01 -0.193263D+01 -0.261398D+01  0.265524D+01
               226           227           228           229           230 
      1   0.243637D+01 -0.302562D+00  0.268282D+00 -0.170251D+01  0.129320D+01
      2  -0.302562D+00  0.310898D+01 -0.201478D+01  0.129320D+01 -0.357701D+01
      3   0.268282D+00 -0.201478D+01  0.151392D+01 -0.100493D+01  0.133093D+01
               231           232           233           234           235 
      1  -0.100493D+01  0.362732D+00 -0.116327D+01  0.737299D+00 -0.131153D+01
      2   0.133093D+01 -0.116327D+01  0.677354D+00 -0.828446D+00 -0.241304D+00
      3  -0.128592D+01  0.737299D+00 -0.828446D+00  0.171582D+01  0.102396D+01
               236           237           238           239           240 
      1  -0.241304D+00  0.102396D+01  0.525689D+00  0.116459D+01 -0.891998D+00
      2  -0.225467D+00 -0.250445D+00  0.116459D+01  0.190586D+01 -0.291978D+00
      3  -0.250445D+00 -0.152662D+01 -0.891998D+00 -0.291978D+00  0.143266D+01
               241           242           243           244           245 
      1   0.124495D+01  0.151443D+00 -0.129948D+01 -0.193771D+01  0.145311D+01
      2   0.151443D+00  0.114727D+01 -0.203511D+00  0.145311D+01 -0.173205D+01
      3  -0.129948D+01 -0.203511D+00  0.559862D+01 -0.476578D+00  0.108475D+01
               246           247           248           249           250 
      1  -0.476578D+00  0.352890D+01 -0.848624D+00  0.208253D+01 -0.171392D-01
      2   0.108475D+01 -0.848624D+00  0.319043D+01 -0.112069D+01  0.108655D+01
      3  -0.835176D+00  0.208253D+01 -0.112069D+01  0.180278D+01 -0.584614D+00
               251           252           253           254           255 
      1   0.108655D+01 -0.584614D+00  0.216605D+01  0.499730D+00  0.466894D+00
      2  -0.963181D+00  0.926613D+00  0.499730D+00 -0.279690D+00  0.459901D+00
      3   0.926613D+00 -0.168799D+01  0.466894D+00  0.459901D+00  0.950518D+00
               256           257           258           259           260 
      1  -0.107145D+01 -0.654208D+00 -0.173264D+00 -0.126294D+01 -0.157993D+00
      2  -0.654208D+00 -0.110282D+01 -0.123605D+01 -0.157993D+00 -0.116116D+01
      3  -0.173264D+00 -0.123605D+01 -0.186901D+01 -0.543943D+00 -0.119635D+01
               261           262           263           264           265 
      1  -0.543943D+00 -0.525797D+01  0.230801D+00  0.237455D+01 -0.661246D+00
      2  -0.119635D+01  0.230801D+00 -0.207415D+01 -0.199923D+00  0.822230D-01
      3  -0.560810D+01  0.237455D+01 -0.199923D+00 -0.186766D+01  0.837658D+00
               266           267           268           269           270 
      1   0.822230D-01  0.837658D+00  0.159378D+01  0.485883D+00 -0.107416D+01
      2  -0.151654D+01 -0.794909D+00  0.485883D+00 -0.603425D+00 -0.249361D+00
      3  -0.794909D+00 -0.692079D+00 -0.107416D+01 -0.249361D+00  0.170373D+01
               271           272           273           274           275 
      1   0.626503D+00 -0.854570D+00  0.528409D+00 -0.309528D-01  0.878131D+00
      2  -0.854570D+00  0.226504D+01  0.118118D+01  0.878131D+00  0.152162D+00
      3   0.528409D+00  0.118118D+01  0.200529D+01  0.521718D+00  0.244175D+00
               276           277           278           279           280 
      1   0.521718D+00  0.103923D+01 -0.524745D-01  0.446178D+00  0.493923D+01
      2   0.244175D+00 -0.524745D-01  0.139913D+01  0.125706D+01  0.902606D+00
      3   0.621658D+00  0.446178D+00  0.125706D+01  0.561316D+01 -0.231258D+01
               281           282           283           284           285 
      1   0.902606D+00 -0.231258D+01  0.617728D+00  0.414233D+00 -0.108584D-01
      2   0.267549D+01 -0.100827D+01  0.414233D+00 -0.795196D+00  0.700700D+00
      3  -0.100827D+01  0.196290D+01 -0.108584D-01  0.700700D+00 -0.165623D+00
               286           287           288           289           290 
      1  -0.171229D+01 -0.134843D+00  0.111811D+01 -0.412287D+00 -0.107274D+00
      2  -0.134843D+00  0.653408D+00  0.584459D-01 -0.107274D+00 -0.235833D+01
      3   0.111811D+01  0.584459D-01 -0.172638D+01 -0.948928D+00  0.956946D+00
               291           292           293           294           295 
      1  -0.948928D+00  0.325616D+00 -0.852924D+00  0.331778D+00 -0.105361D+01
      2   0.956946D+00 -0.852924D+00 -0.860318D+00  0.102948D+00  0.414945D-01
      3  -0.206353D+01  0.331778D+00  0.102948D+00  0.117014D+00 -0.760636D+00
               296           297           298           299           300 
      1   0.414945D-01 -0.760636D+00  0.372244D+00  0.104999D+01 -0.253396D+00
      2  -0.138284D+01  0.107060D+01  0.104999D+01  0.143650D+01  0.736842D+00
      3   0.107060D+01 -0.562114D+01 -0.253396D+00  0.736842D+00  0.362138D+00
               301           302           303           304           305 
      1   0.334765D+01  0.109971D+01  0.174198D+01 -0.412046D+00  0.738387D+00
      2   0.109971D+01  0.410454D+01  0.183817D+01  0.738387D+00  0.143211D+01
      3   0.174198D+01  0.183817D+01  0.196816D+01  0.364401D+00  0.106106D+01
               306           307           308           309           310 
      1   0.364401D+00 -0.184911D+01 -0.307304D+00 -0.422859D+00 -0.191276D+01
      2   0.106106D+01 -0.307304D+00  0.530217D+00  0.256061D-01  0.500536D+00
      3   0.171802D+01 -0.422859D+00  0.256061D-01 -0.468000D+00 -0.626110D+00
               311           312           313           314           315 
      1   0.500536D+00 -0.626110D+00  0.134751D+01 -0.123760D+00  0.846426D+00
      2  -0.652806D+00  0.120218D+01 -0.123760D+00  0.108344D+01 -0.101935D+01
      3   0.120218D+01 -0.204511D+01  0.846426D+00 -0.101935D+01  0.560043D+01
               316           317           318           319           320 
      1  -0.193331D+01  0.654293D-01  0.386000D+00 -0.170845D+01 -0.683231D+00
      2   0.654293D-01 -0.205658D+01 -0.156910D+01 -0.683231D+00 -0.477441D+01
      3   0.386000D+00 -0.156910D+01 -0.112618D+01 -0.582745D+00 -0.201319D+01
               321           322           323           324           325 
      1  -0.582745D+00  0.201565D+00 -0.946833D+00 -0.491969D+00  0.102282D+01
      2  -0.201319D+01 -0.946833D+00 -0.121764D+01 -0.980709D+00  0.372009D+00
      3  -0.162866D+01 -0.491969D+00 -0.980709D+00 -0.169669D+01 -0.683261D+00
               326           327           328           329           330 
      1   0.372009D+00 -0.683261D+00  0.147020D+01 -0.127364D+01 -0.111864D+01
      2  -0.124390D+00 -0.485241D+00 -0.127364D+01  0.123458D+01 -0.986389D-01
      3  -0.485241D+00  0.113198D+01 -0.111864D+01 -0.986389D-01  0.175462D+01
               331           332           333 
      1  -0.133431D+01  0.113878D+00  0.131861D+01
      2   0.113878D+00 -0.108514D+01  0.127262D+00
      3   0.131861D+01  0.127262D+00 -0.561593D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524363D+01 -0.649834D+01 -0.403960D+01 -0.785357D+01  0.372431D+01
      2   0.624210D+01  0.580096D+01  0.614581D+01  0.618754D+01 -0.431946D+01
      3   0.373254D+01 -0.573058D+01  0.116139D+01 -0.323385D+00  0.369523D+01
                 6             7             8             9            10 
      1   0.158640D+01 -0.532069D+01  0.270249D+01  0.181894D+01 -0.573446D+00
      2  -0.174340D+01  0.298017D+01  0.369587D+00 -0.173704D+01 -0.762765D+00
      3   0.101359D+02 -0.693902D+00  0.142598D+02  0.511713D+01 -0.176638D+01
                11            12            13            14            15 
      1   0.535537D+01 -0.113931D+00  0.545536D+01  0.202827D+01 -0.495645D+01
      2  -0.109762D+02 -0.538353D+00 -0.945829D+01 -0.141503D+01  0.580486D+01
      3   0.265780D-01  0.100737D+02  0.495841D+01 -0.551997D+01 -0.184166D+01
                16            17            18            19            20 
      1  -0.132777D+01 -0.105767D+01 -0.115583D+01  0.235366D+01 -0.113717D+02
      2  -0.102507D+01  0.620294D+01  0.212730D+01  0.246512D+02  0.465174D+01
      3   0.134329D+02 -0.436021D+01 -0.504706D+01 -0.968169D+01  0.984042D+01
                21            22            23            24            25 
      1   0.479480D+01 -0.222040D+02 -0.197967D+01 -0.121546D+02  0.397613D+01
      2   0.734639D+00 -0.201940D+01  0.943490D+00 -0.865680D+01 -0.316872D+02
      3  -0.698990D+01  0.357844D+02  0.622568D+01  0.146519D+02 -0.129345D+01
                26            27            28            29            30 
      1  -0.300191D+00 -0.220722D+00 -0.621112D+00  0.423452D+00 -0.500584D-01
      2  -0.113484D+02 -0.224248D+02  0.629744D+00  0.341301D+00 -0.745647D+01
      3   0.738842D+01  0.388709D+01  0.477588D+00  0.149375D+02  0.141432D+00
                31            32            33            34            35 
      1   0.181458D+00  0.158111D+00  0.766201D+01 -0.980234D-01 -0.202921D+02
      2   0.234257D+00 -0.577379D+00 -0.103243D+00  0.205140D+02 -0.124964D+00
      3  -0.149266D+02  0.248444D+00  0.281180D+00  0.350208D+00  0.985335D-01
                36            37            38            39            40 
      1  -0.200271D+00  0.519953D+00 -0.116627D+01  0.105188D+02  0.807514D+01
      2   0.652358D-01 -0.107406D+02 -0.191657D+02  0.797290D+01 -0.104488D+02
      3   0.165964D+00 -0.167826D+02 -0.285998D+02  0.122602D+02 -0.258665D+01
                41            42            43            44            45 
      1   0.242600D+02 -0.496433D+01  0.186656D+02  0.257576D+02 -0.218271D+02
      2   0.417092D+01 -0.671194D+01 -0.591624D+01 -0.112286D+02  0.575054D+01
      3   0.200342D+02 -0.105189D+02  0.673208D+01 -0.320536D+01 -0.389125D+01
                46            47            48            49            50 
      1   0.521133D+00 -0.101042D+02 -0.913824D+00 -0.223418D+02 -0.674199D+01
      2   0.242792D+02 -0.146001D+01 -0.185061D+01  0.240473D+01  0.636276D-01
      3  -0.315652D+01  0.106730D+02  0.283724D+01  0.366787D+02  0.592211D+01
                51            52            53            54            55 
      1  -0.147131D+02  0.501786D+01 -0.202526D+01  0.599316D+01 -0.778538D+00
      2   0.493463D+01 -0.338854D+02  0.260788D+01 -0.217629D+02 -0.663095D+01
      3   0.158870D+02 -0.849670D+00  0.736963D+01 -0.404808D+01  0.576315D+00
                56            57            58            59            60 
      1   0.267184D+01  0.103762D+01  0.320523D+01 -0.340092D+00 -0.315852D+01
      2   0.110321D+02  0.102790D+01  0.972429D+01  0.353556D+01 -0.662739D+01
      3  -0.118607D+01 -0.938706D+01  0.367967D+01  0.622355D+01 -0.421598D+01
                61            62            63            64            65 
      1   0.143412D+01  0.865695D+00  0.570450D+00  0.598193D+01 -0.286698D+01
      2   0.118522D+01 -0.627206D+01  0.226454D+01  0.108219D+02 -0.353789D+01
      3  -0.120478D+02 -0.763297D+01  0.501555D+01 -0.220025D+01 -0.517357D+01
                66            67            68            69            70 
      1   0.201867D+01 -0.405337D+01 -0.470238D+01  0.182305D+01  0.349047D+01
      2   0.622131D+01 -0.394902D+01 -0.796224D+01  0.392057D+01  0.399390D+01
      3  -0.361338D+01 -0.382838D+00 -0.485968D+01  0.961366D+01 -0.308562D+01
                71            72            73            74            75 
      1   0.382967D+01 -0.118174D+01  0.735946D+00  0.568508D+00 -0.102860D+02
      2   0.157068D+01 -0.191212D+01 -0.174166D+02  0.142321D+02  0.346370D+01
      3   0.140145D+02 -0.522082D+01  0.220921D+02 -0.175655D+02 -0.923744D+01
                76            77            78            79            80 
      1   0.118210D+02 -0.229583D+02 -0.940677D+01 -0.215804D+02  0.170981D+02
      2   0.810498D+01  0.481679D+01  0.637290D+01 -0.144999D+02  0.140167D+02
      3   0.845771D+01 -0.253631D+02 -0.133854D+02 -0.572549D+01 -0.468139D+01
                81            82            83            84            85 
      1   0.195524D+02 -0.188073D+01  0.337177D+01 -0.237626D+00  0.309894D+01
      2   0.109332D+02 -0.146337D+02 -0.199764D+02  0.150415D+02 -0.724964D+01
      3   0.398537D+01 -0.175039D+02 -0.313192D+02  0.160970D+02 -0.525580D+01
                86            87            88            89            90 
      1   0.238653D+02  0.208290D+01  0.643378D+01  0.304642D+02 -0.193698D+02
      2   0.167162D+01 -0.359727D+01 -0.990632D+00 -0.137134D+02  0.113314D+02
      3   0.142346D+02 -0.139578D+01  0.703746D+01 -0.248966D+01  0.374945D+01
                91            92            93            94            95 
      1   0.826919D+01  0.626707D+01  0.689757D+01  0.737819D+01 -0.109975D+02
      2  -0.105015D+01  0.904417D+00  0.105182D+01  0.207327D+00  0.809025D+00
      3  -0.655342D+01 -0.237932D+01 -0.650571D+01  0.274550D+01 -0.464580D+00
                96            97            98            99           100 
      1  -0.317622D+01  0.535325D+01 -0.292241D+01  0.272032D+01 -0.979355D+01
      2  -0.100742D+01 -0.273717D+01 -0.370799D+00 -0.113901D+00 -0.318142D+01
      3  -0.797079D+01 -0.108819D+02 -0.968496D+01 -0.511774D+01  0.586936D+01
               101           102           103           104           105 
      1   0.859005D+00 -0.575599D+01  0.176424D+01  0.126360D+02 -0.490188D+01
      2  -0.124143D+01 -0.757743D+00 -0.120178D+00  0.366347D+01  0.506381D-01
      3  -0.714289D+00  0.839280D+01  0.421512D+01  0.102664D+01 -0.593376D+01
               106           107           108           109           110 
      1  -0.356213D+01 -0.393986D+01 -0.237124D+01  0.381372D+01  0.539306D+01
      2  -0.371527D+01 -0.133520D+01 -0.679318D+00 -0.198890D+02  0.160932D+02
      3   0.129833D+02 -0.667286D+01  0.506448D+01  0.243254D+02 -0.211614D+02
               111           112           113           114           115 
      1  -0.373148D+01  0.831099D+01 -0.218516D+02  0.138308D+00 -0.124195D+02
      2   0.132110D+02  0.354500D+01  0.195302D+01  0.766257D+01 -0.803154D+01
      3  -0.152598D+02  0.510574D+01 -0.213462D+02 -0.554417D+01 -0.612415D+01
               116           117           118           119           120 
      1   0.237358D+02  0.159355D+02  0.103960D+01  0.122321D+01 -0.160269D+01
      2   0.199718D+02  0.160899D+02  0.922332D+00  0.146798D+01 -0.602232D+00
      3  -0.445913D+01 -0.395054D+01  0.599389D+01  0.342095D+01 -0.243994D+01
               121           122           123           124           125 
      1   0.526867D+00  0.489909D+01 -0.517869D+01  0.946374D-01 -0.399851D+01
      2   0.867955D+00  0.535121D+01 -0.394761D+01 -0.175051D+01 -0.538715D+01
      3   0.416282D+01  0.131302D+02 -0.551055D+01 -0.397927D+01 -0.891323D+01
               126           127           128           129           130 
      1   0.636448D+01 -0.271409D+01  0.157097D+01  0.332516D+01  0.887800D+00
      2   0.700670D+01 -0.252491D+01  0.277384D+01  0.514575D+01  0.125421D+01
      3   0.531292D+01 -0.475591D+01 -0.255844D+01  0.440424D+00 -0.636347D+00
               131           132           133           134           135 
      1  -0.244734D+00 -0.270583D+01  0.218528D+01 -0.604435D+00 -0.434616D+01
      2  -0.134552D+01 -0.339735D+01  0.832861D+00 -0.221210D+01 -0.619060D+01
      3   0.419380D+01  0.796110D+00  0.358825D+01 -0.440509D+00  0.272363D+00
               136           137           138           139           140 
      1   0.892108D-01 -0.251617D+00 -0.127946D+00 -0.183606D+00 -0.361212D+00
      2  -0.272922D+01 -0.244592D+01  0.357054D+01 -0.321003D+01 -0.567213D+01
      3  -0.569255D+01 -0.401262D+01  0.216437D+01 -0.321684D+01 -0.132350D+02
               141           142           143           144           145 
      1  -0.106122D+01 -0.223694D+00  0.161711D+01 -0.490225D+00  0.918022D+00
      2   0.547836D+01  0.393341D+01  0.533092D+01 -0.933236D+01  0.487779D+01
      3   0.555911D+01  0.339739D+01  0.894724D+01 -0.513787D+01 -0.131042D+01
               146           147           148           149           150 
      1   0.761352D+00  0.132358D+01  0.165521D+00 -0.265586D+00 -0.611297D+00
      2  -0.518360D+00  0.748048D+01 -0.204004D+01  0.776803D-01 -0.138021D+01
      3  -0.542984D+01 -0.295863D+00 -0.354429D+01  0.200817D+01 -0.838707D+00
               151           152           153           154           155 
      1   0.153434D+00  0.147180D+01  0.130011D+01 -0.699488D+01 -0.220592D+01
      2   0.292599D+01 -0.195667D+00  0.734928D+01  0.143994D+01  0.562625D+00
      3   0.282780D+01 -0.220774D+01 -0.207496D+00  0.146932D+02  0.785214D+00
               156           157           158           159           160 
      1  -0.589217D+01 -0.131756D+01 -0.166273D+01 -0.187366D+01 -0.659477D+01
      2   0.270572D+01  0.242424D+00  0.598715D+00  0.321992D+00  0.207177D+00
      3   0.607199D+01  0.149322D+01  0.469676D+01  0.609183D+00  0.985691D+01
               161           162           163           164           165 
      1  -0.208632D+01 -0.937084D+01 -0.120962D+00 -0.425822D+00 -0.671571D+00
      2   0.123548D+01  0.204561D+01  0.911148D-01  0.640188D+00  0.359664D+00
      3   0.924101D+00  0.536378D+01  0.530298D+00  0.400433D+01 -0.104569D+01
               166           167           168           169           170 
      1   0.106613D+01  0.507074D+01 -0.763283D+01 -0.976170D+00 -0.264320D+01
      2   0.740632D+00 -0.757664D+00  0.595480D+00 -0.126249D+01  0.975817D+00
      3   0.567649D+01 -0.109882D+01 -0.576468D-01 -0.140917D+01  0.333762D+01
               171           172           173           174           175 
      1   0.732093D+01  0.670637D+01 -0.464407D+00  0.519648D+01  0.226027D+00
      2  -0.665580D+00  0.335232D+01 -0.380720D+00  0.412511D+01  0.437519D-01
      3   0.231751D+00 -0.144185D+02 -0.184115D+01 -0.596083D+01 -0.122219D+01
               176           177           178           179           180 
      1   0.950834D+00 -0.475660D+00  0.644082D+01 -0.115928D+00  0.837508D+01
      2   0.733489D+00  0.201935D+00  0.219719D+01 -0.123180D+01  0.425355D+01
      3  -0.462678D+01 -0.957179D+00 -0.969599D+01 -0.150748D+01 -0.522915D+01
               181           182           183           184           185 
      1  -0.309267D+00  0.839249D+00  0.233730D+01  0.239928D+01 -0.428097D+01
      2   0.272490D+00 -0.572122D-01  0.119287D+01  0.170470D+00 -0.217666D+01
      3  -0.266708D+01  0.282489D+01  0.844827D+00  0.468948D+01  0.323674D+01
               186           187           188           189           190 
      1  -0.692155D+01  0.184472D+01 -0.200436D+01 -0.699778D+01  0.119987D+01
      2  -0.231437D+01 -0.503272D+00 -0.184405D+01 -0.252962D+01 -0.440136D+01
      3   0.148618D+00  0.495193D+00  0.357887D+01 -0.242933D+00  0.797425D+01
               191           192           193           194           195 
      1  -0.999426D+00 -0.830469D+00 -0.116871D+01  0.136181D+01  0.191862D+00
      2   0.245735D+01  0.468943D+01  0.334180D+01 -0.401087D+01 -0.462547D+01
      3  -0.523877D+01 -0.343110D+01 -0.466129D+01  0.114021D+02  0.492720D+01
               196           197           198           199           200 
      1  -0.149041D+01  0.263676D+01  0.287126D+01 -0.200206D+01 -0.180187D-01
      2   0.496860D+01 -0.376558D+01 -0.906824D+01  0.349296D+01  0.157760D+01
      3  -0.558313D+01  0.777381D+01  0.526984D+01  0.336041D+01 -0.396340D+01
               201           202           203           204           205 
      1  -0.275408D+01 -0.876447D+00  0.230265D+00 -0.168911D+01 -0.122791D+01
      2   0.619919D+01  0.268174D+01  0.982476D+00  0.279009D+01  0.251354D+01
      3   0.467419D+00 -0.210873D+01 -0.403189D+01 -0.700918D+00 -0.208689D+01
               206           207           208           209           210 
      1   0.105851D+01 -0.317182D+01 -0.212076D+01  0.249847D+01  0.310377D+01
      2   0.127939D+01  0.686204D+01  0.133522D+01 -0.172978D+01 -0.789642D+00
      3  -0.283187D+01  0.203505D+00 -0.840957D+01  0.464726D+01  0.370645D+01
               211           212           213           214           215 
      1   0.173347D+01 -0.522164D+01 -0.530726D+01  0.164255D+01 -0.499522D+01
      2  -0.137786D+01  0.327810D+01  0.236665D+01 -0.266906D+01  0.360521D+01
      3   0.529291D+01 -0.110123D+02 -0.469179D+01  0.607095D+01 -0.752831D+01
               216           217           218           219           220 
      1  -0.792456D+01  0.211412D+01  0.248653D+01 -0.356529D+01  0.149459D+01
      2   0.514379D+01 -0.654958D+00 -0.198725D+01  0.335871D+01 -0.895889D+00
      3  -0.527970D+01  0.526951D+01 -0.247661D-02 -0.679478D+00  0.153104D+01
               221           222           223           224           225 
      1   0.151747D+01 -0.448159D+01 -0.200552D+01 -0.168238D+01  0.572425D+01
      2  -0.211634D+01  0.359854D+01 -0.205784D+00  0.201836D+01 -0.483413D+01
      3  -0.465085D+01  0.838295D+00 -0.327963D+01 -0.121914D+01 -0.271786D+00
               226           227           228           229           230 
      1   0.650544D+00  0.492851D+01 -0.158565D-01  0.108052D+01 -0.138268D+01
      2  -0.588787D+01  0.552472D+01 -0.282023D+01  0.370907D+01 -0.367257D+01
      3  -0.736504D+01  0.788606D+01 -0.473460D+01  0.587709D+01 -0.535297D+01
               231           232           233           234           235 
      1  -0.127483D+01  0.139918D+01 -0.557079D+00  0.983103D+00  0.204495D+01
      2   0.286270D+01 -0.263073D+01  0.134973D+01 -0.235931D+01  0.534533D+00
      3   0.296284D+01 -0.116030D+01  0.117541D+01 -0.291180D+01  0.150398D+01
               236           237           238           239           240 
      1  -0.139573D+01 -0.364697D+01 -0.315064D+01 -0.304121D+01  0.624754D+01
      2   0.166153D+00  0.670386D+00 -0.158563D+01 -0.151215D+01 -0.924688D-01
      3  -0.160242D+01 -0.196999D+01 -0.235526D+01 -0.346776D+01  0.311076D+01
               241           242           243           244           245 
      1  -0.285358D+01  0.110455D+01  0.118000D+02 -0.146988D+01  0.274088D+01
      2  -0.169944D+01 -0.122556D+00 -0.278066D+01  0.612152D+00  0.463098D+00
      3  -0.241908D+01 -0.237944D+00  0.261655D+01  0.211563D+01 -0.439427D+01
               246           247           248           249           250 
      1  -0.165127D+01  0.559690D+01 -0.799734D+01  0.334243D+01 -0.529008D+00
      2   0.169063D+01  0.366975D+01  0.113455D+01 -0.120736D+01  0.372715D+00
      3   0.167964D+01 -0.652982D+01  0.106573D+02 -0.544634D+01  0.861953D+00
               251           252           253           254           255 
      1   0.238564D+01 -0.199639D+01 -0.270256D+01 -0.133259D+01 -0.141443D+01
      2  -0.223720D+01  0.153468D+01 -0.315666D+01 -0.114945D+01 -0.480180D+01
      3  -0.138494D+01  0.292507D+01  0.411969D+01  0.760104D+00  0.243922D+01
               256           257           258           259           260 
      1   0.888255D+00  0.156156D+01  0.739531D+00  0.464053D+00  0.234993D+01
      2  -0.184813D-01  0.253478D+01  0.516971D+01 -0.570172D+00  0.244850D+01
      3  -0.142682D-01 -0.218334D+01 -0.276145D+01 -0.855450D+00 -0.229238D+01
               261           262           263           264           265 
      1   0.455754D+00 -0.537291D+01 -0.266280D+01  0.393416D+01 -0.234001D+01
      2   0.120854D+02  0.717440D+01 -0.222316D-01 -0.102301D+01  0.428749D+01
      3  -0.257792D+01 -0.118124D+02 -0.322501D+01  0.498393D+01 -0.530753D+01
               266           267           268           269           270 
      1  -0.244301D+01  0.605080D+00  0.281453D+01  0.186310D+01 -0.254704D+01
      2  -0.178031D+01 -0.111858D+01 -0.166718D+00 -0.369536D-01  0.343442D+00
      3  -0.807162D+00  0.270573D+01  0.164614D+01  0.419740D+00 -0.295551D+01
               271           272           273           274           275 
      1  -0.449447D+00 -0.212166D+00 -0.394231D+01 -0.904768D+00  0.951495D-02
      2  -0.562009D-01 -0.463323D+01 -0.604188D+01 -0.227190D+01  0.130672D+01
      3  -0.500739D+00  0.347513D+01  0.364603D+01  0.276934D+01 -0.143955D+01
               276           277           278           279           280 
      1  -0.467714D+00 -0.512152D+00  0.427119D+00 -0.825575D+01  0.427465D+01
      2   0.186781D+00 -0.239726D+01 -0.248786D+01 -0.882847D+01  0.897022D+01
      3   0.187845D+00  0.968601D+00  0.229719D+01  0.261269D+01  0.131048D+02
               281           282           283           284           285 
      1  -0.219737D+01 -0.347271D+01 -0.792047D+00  0.198278D+01 -0.629086D+00
      2   0.197834D+01 -0.222318D+01 -0.204191D+01 -0.178099D+01  0.642400D+00
      3   0.546976D-01 -0.547942D+01 -0.198521D+01 -0.571416D+00  0.130334D+01
               286           287           288           289           290 
      1  -0.304770D+01  0.106071D+01  0.237880D+01  0.107630D+01 -0.102697D+01
      2  -0.101401D+01  0.225852D+00  0.978578D+00 -0.137698D+01  0.374103D+01
      3  -0.172937D+01 -0.440334D-01  0.297900D+01 -0.919510D+00  0.285933D+01
               291           292           293           294           295 
      1   0.519663D+01 -0.109560D+01 -0.100552D+01  0.986759D+00  0.113866D+01
      2  -0.455582D+01  0.133180D+01  0.270993D+01 -0.144770D+01 -0.274812D+01
      3  -0.355698D+01  0.214375D+01  0.287574D+01 -0.705346D+00 -0.152616D+01
               296           297           298           299           300 
      1   0.180199D+00  0.102060D+02 -0.662351D+00  0.601914D+00  0.393057D+00
      2   0.178366D+01 -0.638322D+01  0.158514D+01 -0.108324D+00  0.152128D+01
      3   0.189874D+01 -0.257151D+01  0.573946D-01 -0.157366D+01 -0.254180D+00
               301           302           303           304           305 
      1   0.410329D+01  0.934506D+01  0.302409D+01  0.530575D-01  0.174169D+01
      2  -0.259676D+01  0.252744D+01  0.250253D+01 -0.211639D+00  0.278390D+01
      3  -0.351130D+01 -0.128149D+02 -0.557679D+01 -0.563238D+00 -0.153201D+01
               306           307           308           309           310 
      1   0.161646D+01  0.317037D+01 -0.239248D+00  0.194856D+01  0.216063D+01
      2   0.201781D+01 -0.222774D+01 -0.295124D+00 -0.297210D+01 -0.929034D+00
      3  -0.297863D+01 -0.382002D+01 -0.733998D+00 -0.168410D+01 -0.150536D+01
               311           312           313           314           315 
      1  -0.196059D+01  0.262440D+01 -0.110730D+01  0.273818D+01 -0.349829D+01
      2   0.210182D+01 -0.574663D+01 -0.112739D+00 -0.186955D+01  0.115505D+02
      3   0.201674D+01 -0.329360D+01  0.146480D+01 -0.197920D+01  0.261134D+01
               316           317           318           319           320 
      1  -0.111729D+01  0.523421D+01  0.946233D+00  0.104810D+01  0.410260D+01
      2  -0.382405D+01 -0.430806D+01 -0.189407D+01 -0.342741D+01 -0.524471D+01
      3   0.374095D+01  0.749237D+01  0.394967D+01  0.538347D+01  0.887152D+01
               321           322           323           324           325 
      1  -0.264971D+00 -0.546021D+00 -0.382533D+00 -0.345236D+00 -0.552097D+00
      2  -0.373855D+01 -0.243769D+01 -0.215822D+01 -0.249453D+01 -0.119414D+00
      3   0.416784D+01  0.844795D+00  0.146908D+01  0.286691D+01 -0.205581D+00
               326           327           328           329           330 
      1  -0.235580D+01  0.174390D+01 -0.440604D+01  0.172324D+01  0.661343D+01
      2  -0.403633D+00  0.108617D+01  0.891012D+00 -0.620396D+00  0.200042D+01
      3  -0.255271D+01  0.115561D+01 -0.327813D+01  0.213652D+01  0.347979D+01
               331           332           333 
      1   0.280541D+01  0.178925D+01 -0.107042D+02
      2  -0.104975D+01  0.176009D+00 -0.565621D+01
      3   0.243091D+01  0.352543D+00 -0.261096D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.312080D+01 -0.270934D+01 -0.103745D+01 -0.478732D+00  0.550363D+01
      2  -0.350283D+01 -0.420004D+00  0.131963D+02  0.241008D+00 -0.120628D+02
      3   0.382034D+00  0.312935D+01 -0.121589D+02  0.237724D+00  0.655917D+01
      4  -0.617590D+01 -0.127405D+02  0.172817D+02 -0.825759D+01 -0.133279D+02
      5   0.675767D+01  0.138469D+02 -0.340827D+01  0.138704D+02  0.488775D+01
      6   0.882644D+01  0.170771D+02 -0.897872D+00  0.168921D+02  0.321656D+00
                 6             7             8             9            10 
      1   0.154015D+02 -0.464254D+01  0.162752D+02  0.762136D+01 -0.198667D+02
      2  -0.990696D+01  0.153986D+02 -0.115365D+02 -0.115130D+02  0.127026D+02
      3  -0.549459D+01 -0.107560D+02 -0.473861D+01  0.389167D+01  0.716414D+01
      4   0.139257D+02  0.201851D+02  0.186408D+02 -0.819172D+01 -0.121789D+02
      5  -0.828939D+01 -0.298741D+01 -0.102969D+02  0.187287D+01 -0.127806D+02
      6  -0.102402D+02 -0.247448D+01 -0.154042D+02  0.120984D+01 -0.937727D+01
                11            12            13            14            15 
      1  -0.787263D+00 -0.473796D+01 -0.479308D+01 -0.431237D+01 -0.208059D+02
      2   0.211873D+01 -0.387096D+01  0.294157D+01  0.434216D+01  0.105204D+02
      3  -0.133147D+01  0.860892D+01  0.185151D+01 -0.297891D-01  0.102855D+02
      4  -0.556228D+01 -0.209931D+02 -0.975199D+01  0.129163D+01 -0.578617D+01
      5  -0.196323D+02 -0.123293D+02 -0.197771D+02  0.868293D+00  0.133809D+01
      6  -0.768442D+01 -0.603161D+01 -0.759457D+01  0.404980D+00 -0.159137D+01
                16            17            18            19            20 
      1  -0.725289D+01 -0.237331D+02 -0.146776D+02  0.722106D+01  0.181498D+01
      2  -0.574211D+00  0.144771D+02  0.105285D+02 -0.552483D+01 -0.611632D+01
      3   0.782711D+01  0.925594D+01  0.414911D+01 -0.169623D+01  0.430134D+01
      4  -0.261497D+02 -0.599128D+01 -0.262454D+01  0.151435D+02 -0.217776D+00
      5  -0.184124D+02  0.112102D+01 -0.173820D+01  0.976780D+01  0.117313D+02
      6  -0.660152D+01 -0.814296D+00 -0.155722D+01  0.372895D+01 -0.763302D+00
                21            22            23            24            25 
      1   0.317792D+01  0.430491D+01 -0.335424D+01  0.116158D+02 -0.600751D+00
      2  -0.217034D+01 -0.563098D+01  0.318940D+01 -0.182715D+01 -0.105997D+01
      3  -0.100759D+01  0.132608D+01  0.164839D+00 -0.978862D+01  0.166073D+01
      4   0.132897D+02  0.397104D+01  0.684284D+01  0.903690D+00  0.759128D+01
      5   0.690484D+01  0.107303D+02 -0.415793D+01  0.151666D+01  0.444405D+01
      6   0.427122D+01 -0.166643D+01  0.151105D+01 -0.200625D+01  0.266764D+01
                26            27            28            29            30 
      1   0.107383D+02  0.701522D+01 -0.135417D+02 -0.315309D-01  0.448013D+01
      2  -0.309979D+01  0.814747D-01  0.296106D+01  0.834076D-01 -0.446321D+01
      3  -0.763848D+01 -0.709669D+01  0.105807D+02 -0.518767D-01 -0.169257D-01
      4  -0.304414D+00 -0.128183D+00  0.172286D-01 -0.810723D+01  0.183983D+01
      5  -0.648590D+00 -0.279964D+01  0.207921D+01  0.944061D+00 -0.345050D+01
      6  -0.155728D+01 -0.549830D+01  0.896467D+00 -0.223204D+01  0.334311D-01
                31            32            33            34            35 
      1  -0.793938D-02  0.275883D+01  0.192602D+01  0.698702D+01  0.283583D+01
      2   0.361298D-01 -0.131565D+02 -0.186820D+01 -0.694050D+01 -0.280439D+01
      3  -0.281904D-01  0.103976D+02 -0.578219D-01 -0.465203D-01 -0.314419D-01
      4  -0.808796D+01  0.145934D+00 -0.459855D+01  0.280013D+01 -0.690931D+01
      5   0.875228D+00 -0.226435D+01  0.568595D-01  0.374281D+01 -0.933331D-02
      6  -0.228720D+01 -0.106267D+01 -0.336312D+01 -0.262334D-01  0.370566D+01
                36            37            38            39            40 
      1   0.802772D+00  0.387973D+01 -0.311816D+01 -0.909535D+00 -0.588021D+01
      2   0.740347D+00 -0.535432D+01  0.268186D+01 -0.873614D+01  0.244637D+01
      3  -0.154312D+01  0.147459D+01  0.436305D+00  0.964567D+01  0.343384D+01
      4  -0.218728D-01  0.705758D+01  0.848014D+01 -0.748717D+01  0.446753D+01
      5   0.307294D-01 -0.174019D+01 -0.247117D+01  0.227917D+00 -0.365470D+01
      6  -0.265323D-01 -0.221883D+01 -0.124733D+02  0.342805D+01 -0.131528D+02
                41            42            43            44            45 
      1   0.539404D+01 -0.482963D+01  0.140225D+01 -0.349410D+01  0.580869D+00
      2  -0.232921D+01  0.647629D+01 -0.847359D+01  0.701187D+01  0.660809D+01
      3  -0.306483D+01 -0.164665D+01  0.707134D+01 -0.351778D+01 -0.718896D+01
      4   0.133684D+02 -0.111722D+02 -0.498492D+01 -0.567746D+01  0.163173D+01
      5  -0.483046D+01  0.610995D+01 -0.634080D+00  0.404280D+01  0.600440D+01
      6  -0.196940D+01  0.489420D+01  0.766633D+00  0.341660D+01  0.132245D+01
                46            47            48            49            50 
      1   0.149311D+02  0.256426D+01  0.119422D+02 -0.197334D+01 -0.338168D+00
      2  -0.145276D+02  0.191122D+01 -0.848487D+01  0.332649D+01  0.174058D+01
      3  -0.403520D+00 -0.447548D+01 -0.345729D+01 -0.135315D+01 -0.140241D+01
      4  -0.953160D+01 -0.259901D+01 -0.930091D+01  0.623011D+00 -0.801219D+01
      5   0.147655D+02 -0.637066D+01  0.784012D+01 -0.510224D+01 -0.788063D+01
      6   0.832512D+00 -0.281711D+01 -0.175180D+01 -0.343429D+01 -0.430458D+01
                51            52            53            54            55 
      1  -0.841257D+01  0.559190D+01 -0.872150D+01  0.630467D+01 -0.243919D+02
      2  -0.697507D+00 -0.503370D+01  0.861765D+00  0.766040D+00  0.180450D+02
      3   0.911007D+01 -0.558200D+00  0.785973D+01 -0.707071D+01  0.634687D+01
      4  -0.502292D+01 -0.547935D+01 -0.525817D+01  0.179978D+01  0.535375D+01
      5   0.926125D+00  0.426598D+01  0.215190D+01 -0.420679D+01 -0.246136D+02
      6  -0.280127D+01 -0.109203D+01 -0.168329D+01  0.453899D+01  0.660628D+01
                56            57            58            59            60 
      1  -0.199356D+01 -0.205617D+02  0.320059D+01 -0.138579D+01  0.173177D+02
      2  -0.946687D+00  0.937362D+01 -0.320471D+01  0.109298D+01 -0.945311D+01
      3   0.294025D+01  0.111881D+02  0.411499D-02  0.292810D+00 -0.786458D+01
      4  -0.194888D+01  0.169303D+02 -0.439689D+01 -0.520957D+01  0.694141D+01
      5   0.144947D+02 -0.130000D+02  0.147387D+02  0.100013D+02 -0.396707D+01
      6  -0.741221D+00  0.318010D+01 -0.620520D+00 -0.100803D+01 -0.115822D+01
                61            62            63            64            65 
      1  -0.256195D+02  0.185973D+02 -0.143182D+02 -0.412865D+01  0.858507D+01
      2   0.154219D+02 -0.115705D+02  0.102196D+02  0.230840D+01 -0.413505D+01
      3   0.101976D+02 -0.702685D+01  0.409858D+01  0.182025D+01 -0.445002D+01
      4   0.195695D+02  0.937965D+01 -0.389353D+01  0.124191D+02 -0.120391D+02
      5  -0.185563D+02 -0.576009D+01 -0.227134D+01  0.177493D+02 -0.150891D+02
      6   0.196403D+01 -0.523784D+00  0.105535D+01 -0.130607D+02  0.989532D+01
                66            67            68            69            70 
      1   0.135338D+02  0.474442D+01  0.870584D+00 -0.180565D+02  0.129939D+02
      2   0.267911D-01 -0.311195D+01 -0.586675D+01  0.157925D+02 -0.995813D+00
      3  -0.135606D+02 -0.163248D+01  0.499617D+01  0.226403D+01 -0.119981D+02
      4  -0.201152D+02 -0.821955D+01  0.102309D+02  0.111337D+01 -0.249083D+02
      5  -0.633869D+01 -0.147737D+02 -0.368534D+01  0.948913D+01 -0.758372D+01
      6   0.201533D+01  0.939398D+01  0.677647D+01 -0.758577D+01  0.504940D+01
                71            72            73            74            75 
      1  -0.215968D+02  0.206995D+01  0.667774D+01 -0.260515D+01 -0.736043D+01
      2   0.196171D+02 -0.620025D+01 -0.880384D+01  0.169024D+01 -0.162535D+01
      3   0.197966D+01  0.413030D+01  0.212610D+01  0.914915D+00  0.898578D+01
      4   0.371545D+01  0.123272D+02 -0.787511D+01  0.917896D+01  0.988599D+01
      5   0.129495D+02  0.245211D+01 -0.553999D+01  0.544216D+01  0.274345D+01
      6  -0.117278D+02 -0.867875D+00  0.721427D+01 -0.973405D+01 -0.393277D+01
                76            77            78            79            80 
      1   0.200571D+01  0.115994D+02  0.802564D+01 -0.307214D+01  0.485672D+01
      2   0.134993D+00 -0.786952D+01 -0.120657D+02 -0.285264D+01 -0.101013D+02
      3  -0.214070D+01 -0.372989D+01  0.404002D+01  0.592479D+01  0.524454D+01
      4   0.635200D+01 -0.586046D+01 -0.459869D+01  0.708048D+01 -0.518985D+00
      5   0.674465D+01 -0.190075D+01 -0.666279D+01  0.706103D+00 -0.472498D+01
      6  -0.101154D+02 -0.497682D+01  0.215478D+01 -0.140640D+01  0.204585D+01
                81            82            83            84            85 
      1   0.162441D+01 -0.247084D+01 -0.706010D+00  0.667560D+01 -0.332967D+01
      2   0.545758D+01  0.527173D+01  0.145315D+01  0.123487D+01  0.704676D+01
      3  -0.708199D+01 -0.280090D+01 -0.747142D+00 -0.791047D+01 -0.371710D+01
      4  -0.285183D+01 -0.775342D+01  0.110027D+01  0.681049D+01 -0.209572D+00
      5   0.613542D+01  0.778826D+01  0.132198D+01 -0.223046D+01  0.958747D+00
      6   0.318855D+00  0.747091D+01 -0.167919D+01  0.366441D+01 -0.414932D+00
                86            87            88            89            90 
      1  -0.169206D+02  0.100503D+02  0.439749D+01  0.617227D+01  0.201118D+01
      2   0.160642D+02 -0.157111D+02  0.299310D+01 -0.866625D+01  0.531920D+01
      3   0.856341D+00  0.566077D+01 -0.739060D+01  0.249398D+01 -0.733038D+01
      4  -0.658828D+00  0.110638D+01  0.723131D+01  0.107023D+00  0.291072D+01
      5  -0.602695D+01  0.998199D+00 -0.105653D+01  0.400396D+00 -0.317667D+01
      6  -0.145408D+02  0.699120D+01  0.360930D+01  0.371256D+01  0.543996D+01
                91            92            93            94            95 
      1  -0.190485D+01  0.450051D+00 -0.231086D+00  0.353073D+01  0.178808D+02
      2   0.224721D+00 -0.197637D+01 -0.452755D+01 -0.794128D+01 -0.229557D+02
      3   0.168013D+01  0.152632D+01  0.475863D+01  0.441056D+01  0.507493D+01
      4  -0.640296D+01 -0.281550D+01 -0.142871D+02 -0.223119D+01 -0.525058D+01
      5  -0.327607D+01 -0.246195D+01 -0.234678D+01 -0.223586D+01  0.155373D+01
      6  -0.147690D+02 -0.365462D+01 -0.727032D+01 -0.328058D+01  0.297306D+02
                96            97            98            99           100 
      1  -0.161734D+02 -0.144000D+01 -0.229616D+02  0.648707D+01 -0.344437D+01
      2   0.287570D+02 -0.275545D+01  0.344621D+02 -0.108058D+02  0.286457D+00
      3  -0.125836D+02  0.419546D+01 -0.115005D+02  0.431870D+01  0.315792D+01
      4  -0.348696D+01 -0.173468D+02 -0.221037D+01 -0.977510D+01  0.713721D+01
      5   0.221675D+00 -0.295690D+01 -0.242875D+01 -0.556224D+00 -0.735512D+01
      6  -0.118404D+02 -0.102815D+02 -0.166349D+02  0.204678D+01  0.120294D+02
               101           102           103           104           105 
      1  -0.371209D+01 -0.111770D+02 -0.614768D+01  0.114455D+02  0.126072D+02
      2   0.582951D+01  0.996393D+01  0.112008D+02 -0.152092D+02 -0.260016D+02
      3  -0.211742D+01  0.121308D+01 -0.505314D+01  0.376370D+01  0.133944D+02
      4  -0.478526D+01  0.108826D+02 -0.695130D+01  0.126214D+02  0.112782D+02
      5  -0.114913D+01 -0.458857D+01 -0.134109D+01  0.960552D+01  0.176824D+01
      6   0.814988D+01  0.910897D+01  0.816044D+01 -0.270467D+02 -0.963695D+01
               106           107           108           109           110 
      1  -0.147912D+02  0.170905D+02  0.620194D+00 -0.707211D+01  0.238815D+01
      2   0.136330D+02 -0.293070D+02 -0.474118D+01  0.106131D+02 -0.185339D+01
      3   0.115828D+01  0.122165D+02  0.412098D+01 -0.354103D+01 -0.534764D+00
      4   0.118881D+02  0.156099D+02  0.126348D+02  0.302109D+01  0.427112D+01
      5  -0.682653D+01  0.489377D+01  0.164740D+00  0.854255D+01  0.406892D+01
      6   0.126765D+02 -0.123558D+02 -0.237070D+01 -0.328262D+01 -0.637444D+01
               111           112           113           114           115 
      1   0.117506D+02  0.491929D+01 -0.140493D+02 -0.632733D+01  0.885077D+01
      2  -0.549441D+01 -0.745435D+01  0.122344D+02  0.137894D+02 -0.237717D+01
      3  -0.625622D+01  0.253506D+01  0.181488D+01 -0.746205D+01 -0.647360D+01
      4  -0.291483D+01  0.534633D+01 -0.603282D+01 -0.654812D+01 -0.475929D+01
      5  -0.362949D+00  0.419922D+01 -0.893393D+01 -0.314748D+01  0.365303D+00
      6  -0.585272D+01 -0.499457D+01  0.111183D+02  0.554591D+01 -0.454694D+01
               116           117           118           119           120 
      1  -0.300855D+01  0.371325D+01 -0.401885D+01 -0.732112D+01  0.211748D+01
      2   0.739761D+01  0.339322D+01  0.518451D+01  0.671419D+01 -0.312158D+01
      3  -0.438906D+01 -0.710647D+01 -0.116566D+01  0.606930D+00  0.100410D+01
      4  -0.499993D+01 -0.335515D+01 -0.238211D+01  0.387441D+01  0.714557D-02
      5  -0.128597D+01 -0.179682D+01  0.683092D+00  0.140087D+01  0.686651D+00
      6   0.233639D+01 -0.594422D+01 -0.207105D+01 -0.235569D+01  0.141915D+01
               121           122           123           124           125 
      1  -0.599412D+01 -0.157837D+02  0.683342D+01  0.393174D+01  0.111790D+02
      2   0.176062D+01  0.290342D+02 -0.100159D+02 -0.181659D+01 -0.152907D+02
      3   0.423350D+01 -0.132505D+02  0.318248D+01 -0.211515D+01  0.411168D+01
      4   0.866934D+01 -0.204424D+02  0.558073D+01 -0.257249D+01  0.105857D+02
      5   0.126920D+00  0.688223D+01 -0.647207D+01  0.304018D+01 -0.917810D+01
      6  -0.727067D+00 -0.108196D+02  0.915783D+01 -0.116499D+01  0.126269D+02
               126           127           128           129           130 
      1  -0.662964D+01  0.344386D+02 -0.130630D+02 -0.108521D+02 -0.720789D+01
      2   0.786936D+01 -0.137818D+02  0.922539D+00  0.446251D+01 -0.348856D+01
      3  -0.123972D+01 -0.206568D+02  0.121404D+02  0.638956D+01  0.106965D+02
      4  -0.762287D+01 -0.334006D+02  0.229865D+02  0.139675D+02  0.222212D+02
      5   0.958478D+01 -0.205971D+02  0.113797D+02  0.142260D+02  0.911046D+01
      6  -0.118247D+02  0.107241D+02 -0.699129D+01 -0.716498D+01 -0.757909D+01
               131           132           133           134           135 
      1   0.424940D+01  0.264021D+01 -0.132521D+02  0.588816D+01  0.625862D+01
      2   0.721355D+01  0.102464D+01  0.627313D+01 -0.136442D+01 -0.403114D+01
      3  -0.114630D+02 -0.366485D+01  0.697899D+01 -0.452374D+01 -0.222749D+01
      4  -0.233878D+02 -0.101897D+02  0.194547D+02 -0.152825D+02 -0.159625D+02
      5  -0.896441D+01 -0.748454D+01  0.196947D+02 -0.134579D+02 -0.189576D+02
      6   0.745680D+01  0.780448D+01 -0.112173D+02  0.113539D+02  0.123608D+02
               136           137           138           139           140 
      1   0.226879D+02  0.864091D+01 -0.458395D+01  0.153207D+02  0.755510D+01
      2  -0.130086D+02 -0.447810D+01  0.311384D+01 -0.755600D+01 -0.282117D+01
      3  -0.967926D+01 -0.416282D+01  0.147011D+01 -0.776473D+01 -0.473393D+01
      4   0.789030D+01  0.735952D+01 -0.404748D+01  0.103474D+02  0.187669D+02
      5  -0.546997D+01 -0.421718D+01  0.757278D+01 -0.593018D+01 -0.875612D+01
      6  -0.130627D+01 -0.750461D+00  0.261792D+00 -0.976708D+00 -0.234226D+01
               141           142           143           144           145 
      1  -0.518203D+01 -0.113711D+02 -0.624793D+01  0.831657D+01  0.644820D+02
      2   0.236600D+01  0.705218D+01  0.494437D+01 -0.705374D+01 -0.371109D+02
      3   0.281602D+01  0.431889D+01  0.130356D+01 -0.126283D+01 -0.273711D+02
      4  -0.769523D+01 -0.708798D+01 -0.111761D+02  0.702069D+01 -0.161105D+02
      5   0.796204D+01  0.130051D+02  0.856584D+01 -0.150624D+02  0.293607D+02
      6   0.232281D+01  0.684057D+00  0.255935D+01 -0.148063D+01 -0.626791D+01
               146           147           148           149           150 
      1  -0.676890D+01  0.207077D+02 -0.841160D+01  0.815417D+01 -0.371838D+01
      2   0.278224D+01 -0.136159D+02  0.285713D+01 -0.345200D+01  0.179203D+01
      3   0.398666D+01 -0.709181D+01  0.555447D+01 -0.470217D+01  0.192635D+01
      4   0.102879D+02 -0.616821D+01  0.154942D+02 -0.713958D+01  0.487839D+01
      5  -0.480914D+01  0.185988D+02 -0.598557D+01  0.450449D+01 -0.329610D+01
      6   0.198176D+01 -0.346830D+01  0.400937D+01 -0.197576D+01  0.372054D+01
               151           152           153           154           155 
      1   0.288027D+02 -0.394673D+01  0.171028D+02  0.638698D+01 -0.413893D+01
      2  -0.205647D+02  0.217482D+01 -0.148075D+02  0.176457D+01  0.124215D+02
      3  -0.823806D+01  0.177190D+01 -0.229531D+01 -0.815155D+01 -0.828258D+01
      4  -0.968872D+01  0.435909D+01 -0.533923D+01  0.249122D+02  0.123943D+02
      5   0.279273D+02 -0.321291D+01  0.220326D+02  0.572300D+01  0.185488D+01
      6  -0.537869D+01  0.320503D+01 -0.471868D+01  0.103104D+02  0.454023D+01
               156           157           158           159           160 
      1   0.175021D+01 -0.354187D+01 -0.525052D+01 -0.120855D+01  0.100524D+01
      2   0.151917D+01  0.831550D+01  0.115195D+02  0.205414D+01  0.150088D+01
      3  -0.326937D+01 -0.477363D+01 -0.626898D+01 -0.845599D+00 -0.250612D+01
      4   0.999443D+01  0.735526D+01  0.101862D+02  0.314930D+01  0.152337D+02
      5   0.489533D+01  0.108522D+01  0.182213D+01  0.989836D+00  0.580561D+01
      6   0.887446D+01  0.257526D+01  0.308808D+01  0.503973D+01  0.108709D+02
               161           162           163           164           165 
      1  -0.256774D+01 -0.234561D+01 -0.428795D+01  0.445200D+00  0.129326D+00
      2   0.648422D+01  0.364013D+01  0.824995D+01  0.608585D+00 -0.213367D+00
      3  -0.391649D+01 -0.129451D+01 -0.396201D+01 -0.105379D+01  0.840412D-01
      4   0.731083D+01  0.101961D+02  0.228527D+01  0.135047D+02 -0.385621D+01
      5   0.273708D+01  0.551272D+01 -0.196784D+00 -0.279032D+01  0.307818D+01
      6   0.100230D+02  0.143625D+02 -0.384133D+01 -0.569456D+00  0.116859D+01
               166           167           168           169           170 
      1  -0.201903D+01 -0.401329D+02  0.147414D+02  0.198467D+01  0.223447D+02
      2   0.453008D+01  0.681933D+02 -0.220118D+02 -0.244492D+01 -0.307991D+02
      3  -0.251104D+01 -0.280604D+02  0.727046D+01  0.460252D+00  0.845438D+01
      4   0.919532D+01  0.672548D+01 -0.255344D+01 -0.328929D+01 -0.348360D+01
      5  -0.107608D+01 -0.805379D+00  0.773824D+00  0.276975D+01  0.150691D+01
      6  -0.206305D+01 -0.309966D+02  0.191541D+02  0.370397D+01  0.283512D+02
               171           172           173           174           175 
      1  -0.152451D+02  0.179124D+02  0.164836D+01  0.650778D+01  0.379440D+01
      2   0.175487D+02 -0.682079D+01 -0.862425D+01 -0.330118D+01 -0.732631D+01
      3  -0.230364D+01 -0.110916D+02  0.697589D+01 -0.320659D+01  0.353192D+01
      4   0.354883D+01 -0.257381D+02  0.113906D+02 -0.898799D+01  0.585025D+01
      5  -0.123435D+01  0.872396D+01 -0.113756D+01  0.722376D+01 -0.712453D-01
      6  -0.223533D+02 -0.940706D+01  0.178385D+01 -0.817061D+01  0.363035D+00
               176           177           178           179           180 
      1   0.861927D+00  0.114113D+01  0.857869D+01  0.514743D+00  0.290296D+01
      2   0.256016D+01 -0.114411D+01 -0.520891D+01 -0.359459D+01 -0.162647D+01
      3  -0.342209D+01  0.298537D-02 -0.336978D+01  0.307985D+01 -0.127649D+01
      4  -0.788169D+01  0.123680D+01 -0.151113D+02  0.477962D+01 -0.102886D+02
      5   0.178547D+01 -0.486561D+00  0.930030D+01 -0.292175D+01  0.884106D+01
      6  -0.141104D+01  0.268517D+01 -0.109159D+02  0.648131D+01 -0.123188D+02
               181           182           183           184           185 
      1  -0.171104D+01  0.583967D+00  0.126827D+01  0.455609D+01 -0.305042D+02
      2   0.811775D+01 -0.750894D+01 -0.319542D+01 -0.128643D+02  0.562431D+02
      3  -0.640671D+01  0.692498D+01  0.192715D+01  0.830818D+01 -0.257389D+02
      4  -0.119650D+02  0.172377D+02  0.599215D+01  0.151346D+02 -0.256842D+02
      5  -0.262227D+01  0.437860D+01  0.456249D+01  0.315197D+01 -0.716360D+01
      6   0.552665D+01 -0.635818D+01 -0.501744D+01 -0.815213D+01  0.277648D+02
               186           187           188           189           190 
      1  -0.112244D+02  0.443327D+01 -0.165275D+02 -0.113840D+02  0.318931D+02
      2   0.182869D+02 -0.697584D+01  0.245036D+02  0.136852D+02 -0.192680D+02
      3  -0.706245D+01  0.254258D+01 -0.797609D+01 -0.230128D+01 -0.126251D+02
      4  -0.101323D+02  0.782782D+01 -0.144435D+02 -0.111635D+02 -0.719685D+00
      5  -0.465139D+01  0.568459D+01 -0.748045D+01 -0.691581D+01 -0.896269D+01
      6   0.177192D+02 -0.964629D+01  0.253425D+02  0.213611D+02 -0.464156D+00
               191           192           193           194           195 
      1  -0.739865D+01 -0.854583D+01 -0.145155D+02  0.938872D+01  0.660111D+01
      2   0.519252D+01  0.615397D+01  0.893729D+01 -0.729596D+01 -0.433461D+01
      3   0.220613D+01  0.239186D+01  0.557816D+01 -0.209276D+01 -0.226650D+01
      4   0.642463D+01  0.255472D+01  0.707443D+01 -0.114900D+02 -0.435383D+01
      5   0.428141D+01  0.916462D+01  0.621274D+01 -0.644014D+01 -0.619526D+01
      6   0.178905D+00  0.147938D+01  0.487093D+00  0.283689D+00  0.668880D+00
               196           197           198           199           200 
      1  -0.161466D+02  0.707109D+01  0.108019D+02  0.472389D+02  0.123870D+02
      2   0.115643D+02 -0.687570D+01 -0.955805D+01 -0.234817D+02 -0.346213D+01
      3   0.458227D+01 -0.195383D+00 -0.124390D+01 -0.237572D+02 -0.892483D+01
      4   0.332246D+01 -0.631700D+01 -0.247467D+01  0.303638D+02  0.168238D+02
      5   0.146805D+02 -0.552906D+01 -0.151560D+02  0.232795D+02  0.924661D+01
      6   0.248442D+01  0.957167D+00 -0.242319D+01  0.107523D+02  0.513285D+01
               201           202           203           204           205 
      1   0.148002D+02  0.111395D+02  0.701426D+01  0.464985D+01  0.197953D+02
      2  -0.835039D+01 -0.728082D+00  0.142675D+01 -0.111297D+01 -0.123412D+02
      3  -0.644982D+01 -0.104115D+02 -0.844102D+01 -0.353688D+01 -0.745410D+01
      4   0.119203D+02  0.215707D+02  0.176130D+02  0.865100D+01  0.183441D+02
      5   0.158590D+02  0.950389D+01  0.729177D+01  0.624257D+01  0.241505D+02
      6   0.660233D+01  0.720730D+01  0.573181D+01  0.619258D+01  0.107863D+02
               206           207           208           209           210 
      1   0.655326D+01  0.123628D+02 -0.731064D+01  0.853785D+01  0.384106D+01
      2  -0.282569D+01 -0.101311D+02  0.799562D+01 -0.111676D+02 -0.550929D+01
      3  -0.372756D+01 -0.223169D+01 -0.684982D+00  0.262973D+01  0.166823D+01
      4   0.102350D+02  0.124285D+02 -0.383822D+01  0.413519D+01  0.112331D+01
      5   0.868904D+01  0.202018D+02  0.583018D+00 -0.157657D+01  0.463918D-01
      6   0.684743D+01  0.101753D+02  0.368496D+01 -0.472085D+01 -0.371947D+01
               211           212           213           214           215 
      1   0.523275D+01 -0.207889D+02 -0.777958D+01  0.594157D+01 -0.134628D+02
      2  -0.436504D+01  0.346442D+02  0.106514D+02 -0.497743D+01  0.178535D+02
      3  -0.867717D+00 -0.138553D+02 -0.287180D+01 -0.964143D+00 -0.439069D+01
      4   0.648712D+01  0.105242D+02  0.116407D+01  0.282119D+01  0.341572D+01
      5  -0.761824D+00  0.356748D+01  0.398802D+01  0.107824D+01  0.622632D+01
      6  -0.290049D+01  0.108770D+02  0.978488D+01 -0.184663D+01  0.145555D+02
               216           217           218           219           220 
      1  -0.946660D+01  0.144994D+02  0.654890D+01 -0.357322D+01  0.138001D+01
      2   0.106972D+02 -0.549697D-01  0.624101D+01 -0.142857D+01  0.999430D+01
      3  -0.123062D+01 -0.144444D+02 -0.127899D+02  0.500179D+01 -0.113743D+02
      4   0.308986D+01  0.287263D+02  0.253868D+02 -0.126640D+02  0.223066D+02
      5   0.630392D+01 -0.123888D+02 -0.103391D+02  0.100787D+02 -0.812999D+01
      6   0.138932D+02 -0.102102D+02 -0.946110D+01  0.770897D+01 -0.963871D+01
               221           222           223           224           225 
      1  -0.673185D+01  0.183146D+01 -0.278405D+01  0.158488D+01 -0.226365D+01
      2   0.245051D+02 -0.692820D+01 -0.244050D+01 -0.734824D+01  0.433467D+01
      3  -0.177733D+02  0.509674D+01  0.522456D+01  0.576336D+01 -0.207102D+01
      4   0.318458D+02 -0.128294D+02 -0.163871D+02 -0.192475D+02  0.160289D+02
      5  -0.113505D+02  0.804636D+01  0.127031D+02  0.134770D+02 -0.149476D+02
      6  -0.146162D+02  0.117844D+02  0.113351D+02  0.175589D+02 -0.165575D+02
               226           227           228           229           230 
      1  -0.541991D+01  0.905279D+01 -0.666538D+01  0.625349D+01 -0.130817D+02
      2   0.479279D+01 -0.880867D+01  0.414671D+01 -0.516878D+01  0.168861D+02
      3   0.627124D+00 -0.244113D+00  0.251868D+01 -0.108471D+01 -0.380442D+01
      4  -0.102709D+02  0.221363D+01 -0.190301D+01  0.681501D+01 -0.460242D+01
      5   0.345238D+01 -0.186406D+01  0.122284D+01 -0.171659D+01  0.200898D+01
      6  -0.420448D+01  0.117116D+02 -0.832549D+01  0.571486D+01 -0.122622D+02
               231           232           233           234           235 
      1   0.730454D+01 -0.287527D+01  0.542366D+01 -0.686475D+01  0.167485D+01
      2  -0.586965D+01  0.166828D+01 -0.234879D+01  0.113165D+01 -0.464362D+01
      3  -0.143489D+01  0.120699D+01 -0.307487D+01  0.573310D+01  0.296878D+01
      4   0.339543D+01 -0.102728D+01  0.416179D+01 -0.326257D+01  0.272752D+01
      5  -0.564495D+00  0.209208D+01 -0.111193D+01  0.321123D+00 -0.600994D+01
      6   0.899874D+01 -0.450661D+01  0.691863D+01 -0.837048D+01 -0.199114D+01
               236           237           238           239           240 
      1   0.370323D+00 -0.523549D+00 -0.984553D-01  0.142319D+00 -0.128329D+01
      2   0.869995D+00  0.668506D+01  0.141843D+01 -0.379855D+01 -0.570451D+01
      3  -0.124032D+01 -0.616151D+01 -0.131998D+01  0.365623D+01  0.698780D+01
      4   0.242542D+01 -0.128991D+01 -0.223145D+01 -0.566671D+01  0.110744D+01
      5  -0.794814D-01  0.875031D+01  0.218237D+01  0.599951D-01 -0.439522D+01
      6   0.125464D+00  0.300242D+01  0.222136D+01  0.275489D+01 -0.717018D+00
               241           242           243           244           245 
      1   0.314251D+00  0.206338D+01 -0.106294D+02  0.970481D+01 -0.383591D+01
      2   0.504699D+01 -0.280776D+01 -0.172464D+02 -0.575588D+01  0.370355D+01
      3  -0.536124D+01  0.744383D+00  0.278758D+02 -0.394893D+01  0.132353D+00
      4  -0.296559D+01 -0.252313D+01  0.165579D+00 -0.782891D+01  0.784200D+01
      5   0.684730D+01  0.331781D+00 -0.153356D+02  0.665906D+01 -0.612982D+01
      6   0.246878D+01  0.422401D+01 -0.127918D+02 -0.314871D+01  0.282805D+01
               246           247           248           249           250 
      1   0.244432D+01 -0.928603D+01  0.171967D+01 -0.319121D+01 -0.660760D+00
      2  -0.315636D+01  0.837702D+01 -0.238769D+01  0.598523D+01 -0.200003D+01
      3   0.712046D+00  0.909002D+00  0.668014D+00 -0.279403D+01  0.266079D+01
      4  -0.498361D+01  0.553796D+01 -0.152755D+02  0.593631D+01 -0.484097D+01
      5   0.617040D+01 -0.117971D+02  0.780965D+01 -0.970278D+01  0.501291D+01
      6  -0.200562D+01  0.451734D+01 -0.661371D+01  0.403976D+01 -0.193319D+01
               251           252           253           254           255 
      1  -0.717546D+00 -0.108325D+01 -0.555369D+01  0.904657D+00  0.320544D+01
      2   0.268098D+01 -0.456362D+01  0.252545D+01  0.335860D+00  0.182454D+01
      3  -0.196343D+01  0.564688D+01  0.302823D+01 -0.124052D+01 -0.502998D+01
      4   0.339697D+01 -0.482868D+01 -0.338435D+01 -0.262920D+00 -0.116351D+01
      5  -0.530861D+01  0.785829D+01 -0.278962D+01 -0.899922D+00 -0.281998D+00
      6   0.378321D+01 -0.255073D+01  0.648418D+00 -0.194543D+00 -0.181488D+01
               256           257           258           259           260 
      1   0.287574D+01 -0.365026D+01 -0.662841D+01  0.289999D+01 -0.402723D+01
      2  -0.162045D+01 -0.346828D-01 -0.120674D+01 -0.353783D+01 -0.130226D+01
      3  -0.125529D+01  0.368494D+01  0.783516D+01  0.637846D+00  0.532949D+01
      4   0.406253D+01  0.358119D+01  0.342190D+01  0.193808D+01  0.336736D+01
      5   0.170829D+01  0.382714D+01  0.556924D+01  0.519994D+01  0.294193D+01
      6   0.139941D+01  0.536501D+01  0.853729D+01  0.799150D+00  0.596412D+01
               261           262           263           264           265 
      1  -0.167133D+02  0.190574D+02  0.354103D+01 -0.636139D+01  0.156308D+01
      2  -0.112056D+02 -0.169452D+02 -0.630185D+01  0.885163D+01 -0.350676D+01
      3   0.279189D+02 -0.211213D+01  0.276081D+01 -0.249025D+01  0.194368D+01
      4   0.181488D+01 -0.114006D+02  0.536880D+01  0.528834D+01  0.149895D+00
      5   0.164232D+02 -0.173933D+02  0.107332D+01  0.108910D+02 -0.431172D+01
      6   0.113751D+02  0.547614D+01 -0.228051D+01 -0.498387D+01  0.648955D+00
               266           267           268           269           270 
      1   0.537314D+01  0.446188D-01 -0.424141D+01  0.780170D+00  0.200425D+01
      2  -0.434639D+01  0.140936D+01  0.753600D+01 -0.129871D+01 -0.774427D+01
      3  -0.102675D+01 -0.145398D+01 -0.329459D+01  0.518541D+00  0.574002D+01
      4   0.136767D+01  0.128818D+01  0.170064D+01  0.704696D+00 -0.178436D+01
      5   0.422387D+00  0.283090D+01  0.805687D+01  0.108247D+01 -0.738586D+01
      6  -0.207406D+01 -0.763993D+00 -0.232542D+01  0.772582D+00  0.384764D+01
               271           272           273           274           275 
      1  -0.504465D+00 -0.583973D+01 -0.782972D+01 -0.145722D+01 -0.292315D+01
      2  -0.411875D+01  0.549078D+01 -0.128788D+01  0.120144D+01  0.733705D+00
      3   0.462321D+01  0.348947D+00  0.911760D+01  0.255781D+00  0.218945D+01
      4   0.420492D+01 -0.208720D+01  0.243348D+01 -0.149954D+00  0.175403D+01
      5   0.168197D+01 -0.104877D+01  0.226370D+01 -0.350707D+00  0.190061D+01
      6   0.176710D+01  0.557685D+01  0.816338D+01  0.249542D+01  0.312112D+01
               276           277           278           279           280 
      1  -0.251208D+01 -0.263544D+01 -0.599362D+01 -0.157794D+02  0.124784D+02
      2   0.696449D+00 -0.615047D+00  0.170350D+01 -0.120923D+02 -0.115495D+02
      3   0.181563D+01  0.325049D+01  0.429012D+01  0.278718D+02 -0.928809D+00
      4   0.140632D+01  0.323453D+01 -0.128083D+01  0.270101D+01  0.173134D+02
      5   0.727715D+00  0.369228D+01 -0.691381D+00 -0.349980D+01 -0.152474D+02
      6   0.587915D+01  0.139997D+01  0.753899D+01  0.197399D+02 -0.873105D+01
               281           282           283           284           285 
      1  -0.368683D+01 -0.249747D+01  0.483683D+00  0.403825D+01 -0.138493D+01
      2   0.639062D+01  0.523970D+01  0.138205D+01 -0.183291D+01  0.607215D+00
      3  -0.270379D+01 -0.274223D+01 -0.186573D+01 -0.220534D+01  0.777712D+00
      4   0.647165D+01 -0.839112D+01  0.322737D+01  0.273701D+01 -0.829982D+00
      5  -0.440419D+01  0.954813D+01 -0.947481D-01 -0.361711D+00  0.221711D-01
      6  -0.531042D+01  0.766297D+01 -0.124691D+01  0.983602D+00  0.632302D+00
               286           287           288           289           290 
      1  -0.233191D+01 -0.156272D+01  0.464591D+00 -0.756539D+00  0.627346D+01
      2   0.536627D+01  0.290544D+01 -0.621610D+01 -0.388971D+01 -0.660369D+01
      3  -0.303436D+01 -0.134272D+01  0.575151D+01  0.464625D+01  0.330227D+00
      4  -0.431038D+01 -0.113556D+01  0.404802D+01 -0.306389D+01  0.803890D+00
      5   0.734475D+01  0.726025D+00 -0.627523D+01  0.226551D+01 -0.548939D+00
      6   0.411905D+01  0.164993D+01 -0.567303D+01 -0.344530D+01  0.526090D+01
               291           292           293           294           295 
      1  -0.630340D+01  0.163642D+01  0.107071D-02  0.138381D+00 -0.244906D+01
      2  -0.291111D+01 -0.199892D+01 -0.228887D+01 -0.667453D+00 -0.180816D+01
      3   0.921451D+01  0.362500D+00  0.228780D+01  0.529071D+00  0.425723D+01
      4  -0.413578D+01  0.337912D+00 -0.203202D+01  0.995927D+00 -0.337754D+01
      5   0.473064D+01 -0.416676D+00  0.239339D+01 -0.101997D+01  0.414274D+01
      6  -0.833460D+01  0.225074D+01 -0.684234D+00  0.361350D+01 -0.233178D+01
               296           297           298           299           300 
      1   0.561335D+01 -0.141791D+02  0.286740D+01  0.185518D+01 -0.305788D+00
      2  -0.237416D+01 -0.137887D+02  0.449635D+00 -0.754723D+00  0.285933D+00
      3  -0.323919D+01  0.279678D+02 -0.331704D+01 -0.110045D+01  0.198543D-01
      4  -0.100814D+00 -0.325768D+01  0.636147D+01  0.664100D+01  0.367733D+01
      5  -0.205899D+00  0.163074D+01  0.188213D+01  0.419200D+01  0.322916D+01
      6   0.703208D+01 -0.199670D+02  0.206645D+01  0.266369D+01  0.177203D+01
               301           302           303           304           305 
      1   0.800802D+01 -0.414259D+01 -0.311750D+00 -0.267651D+01 -0.182683D+01
      2  -0.602615D+01  0.400626D+01 -0.260504D+01  0.568322D+00 -0.746760D+00
      3  -0.198186D+01  0.136337D+00  0.291679D+01  0.210818D+01  0.257359D+01
      4   0.702219D+01  0.183806D+02  0.858775D+01  0.352468D+01  0.486498D+01
      5   0.928979D+01  0.958473D+01  0.951937D+01  0.333599D+01  0.522212D+01
      6   0.571635D+01  0.109029D+02  0.705367D+01  0.182523D+01  0.574790D+01
               306           307           308           309           310 
      1  -0.367398D+01 -0.519333D+01 -0.163225D+01  0.133702D+01 -0.541456D+01
      2  -0.204491D+01  0.265204D+01  0.698669D+00  0.160655D+01  0.455113D+01
      3   0.571889D+01  0.254129D+01  0.933585D+00 -0.294357D+01  0.863431D+00
      4   0.511272D+01  0.165214D+00  0.647323D+00  0.185549D+00  0.341961D+01
      5   0.711194D+01 -0.180866D+01 -0.897305D+00  0.112568D+01 -0.387109D+01
      6   0.448633D+01 -0.181806D+01  0.632177D+00 -0.752979D-01  0.153710D+01
               311           312           313           314           315 
      1  -0.335366D+01  0.504172D+01  0.273327D+01  0.299042D+01 -0.153994D+02
      2  -0.956267D+00  0.377004D+01 -0.475730D+01  0.199149D+01 -0.124580D+02
      3   0.430993D+01 -0.881176D+01  0.202403D+01 -0.498191D+01  0.278574D+02
      4  -0.312706D+01  0.453965D+01 -0.109771D+01  0.349390D+01 -0.293686D+01
      5   0.431281D+01 -0.748090D+01  0.620515D+01 -0.288536D+01  0.187384D+02
      6  -0.381805D+01  0.703939D+01 -0.772338D+00  0.497822D+01 -0.686246D+01
               316           317           318           319           320 
      1  -0.564211D+01 -0.705785D+01 -0.462606D+01 -0.683628D+01 -0.176416D+02
      2   0.563290D+01  0.572310D+01  0.261429D+01  0.467052D+01  0.208059D+02
      3   0.920545D-02  0.133475D+01  0.201177D+01  0.216576D+01 -0.316430D+01
      4   0.548163D+01 -0.860395D-01 -0.811376D+00  0.535302D+01 -0.250499D+01
      5   0.232689D+01 -0.235068D+00 -0.460162D+00  0.108187D+01 -0.113824D+01
      6   0.118659D+01  0.889536D+01  0.580686D+01  0.312415D+01  0.163153D+02
               321           322           323           324           325 
      1  -0.971017D+01 -0.111514D+01 -0.749984D+01 -0.789797D+01  0.233615D+01
      2   0.768494D+01  0.800908D+00  0.423561D+01  0.225888D+01 -0.476981D+01
      3   0.202523D+01  0.314235D+00  0.326423D+01  0.563909D+01  0.243366D+01
      4  -0.413700D+00 -0.652449D+00  0.167238D+01  0.834811D+00 -0.581218D+00
      5  -0.187051D+01  0.980249D+00 -0.420708D+00 -0.174829D+01 -0.525477D+01
      6   0.107179D+02  0.288887D+01  0.791804D+01  0.813105D+01 -0.133184D+00
               326           327           328           329           330 
      1  -0.213323D+00 -0.953368D+00  0.245729D+01 -0.269826D+01  0.816653D+00
      2  -0.691813D+00  0.514811D+01 -0.340452D+01 -0.158549D+01  0.749138D+01
      3   0.905136D+00 -0.419474D+01  0.947228D+00  0.428375D+01 -0.830803D+01
      4   0.641020D+00 -0.547235D+00 -0.320264D+01  0.558294D+01 -0.372327D+00
      5  -0.148835D+01  0.789637D+01 -0.417264D+01 -0.429401D+00  0.658957D+01
      6   0.712215D+00 -0.806205D+00  0.215569D+01 -0.196813D+01  0.311743D+00
               331           332           333 
      1  -0.702108D+00 -0.688191D+00 -0.110075D+02
      2   0.571144D+01  0.274582D+01 -0.169448D+02
      3  -0.500933D+01 -0.205763D+01  0.279523D+02
      4   0.228929D+01 -0.294039D+01  0.146936D+01
      5   0.744124D+01  0.472174D+00 -0.181319D+02
      6  -0.165175D+01  0.373400D+01  0.850916D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.157039D-03      0.399154D-03      0.133143D-02
   y          0.284774D-03      0.723822D-03      0.241441D-02
   z         -0.733540D-04     -0.186447D-03     -0.621921D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.150650D+03      0.223241D+02      0.248389D+02
   yx        -0.245137D-02     -0.363255D-03     -0.404176D-03
   yy         0.150603D+03      0.223171D+02      0.248311D+02
   zx         0.166888D-03      0.247302D-04      0.275160D-04
   zy         0.306928D-02      0.454821D-03      0.506056D-03
   zz         0.117003D+03      0.173381D+02      0.192912D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143360D+03      0.212438D+02      0.236369D+02
   aniso      0.339313D+02      0.502810D+01      0.559451D+01
   xx         0.154702D+03      0.229244D+02      0.255069D+02
   yx        -0.205918D-01     -0.305138D-02     -0.339512D-02
   yy         0.154640D+03      0.229152D+02      0.254966D+02
   zx         0.245482D-01      0.363767D-02      0.404745D-02
   zy         0.172291D-01      0.255310D-02      0.284070D-02
   zz         0.120739D+03      0.178917D+02      0.199073D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.18798152         -0.00184275         -5.51146243
     6         -3.72640228         -0.19923533         -4.22563861
     7         -3.52290181          0.97941785         -1.64512882
    45          0.00040412          0.00028466         -0.00035158
     7          0.78649380         -1.08984591         -3.77735185
     7          3.70039698         -0.79903629          1.32048079
     6          5.13301939          1.63404133          1.66271549
     6          4.48954954          3.37305603         -0.50471234
     7          1.65866978          3.58767711         -0.67680213
     7         -1.14831049          0.90113696          3.73324954
     6         -1.68879245         -1.49585121          5.16549533
     6         -3.02196561         -3.31186299          3.41598836
     7         -1.47368787         -3.57909706          1.04501489
     1          5.18220702          2.62486591         -2.29564746
     1          5.33815209          5.23337163         -0.24746241
     1          4.57622572          2.45310707          3.47003126
     1          7.15942615          1.26976940          1.75233530
     1          0.10717198         -2.26770413          5.81811457
     1         -2.82767459         -1.09528283          6.83569427
     1         -4.88466663         -2.60791404          2.88487667
     1         -3.29210255         -5.14884561          4.31018309
     1         -4.29222612         -2.16622872         -3.98522884
     1         -5.19725764          0.73208870         -5.32847890
     1         -0.69154590          1.96204175         -5.89037040
     1         -1.18590047         -0.99472601         -7.31735772
     1          2.52699870         -0.57449175         -4.42282341
     1          0.76120691         -3.01075989         -3.94159914
     1         -5.06716645          0.47209746         -0.61098411
     1         -3.67271322          2.89307837         -1.82699598
     1         -2.55138757         -4.43507703         -0.30312001
     1         -0.04149736         -4.82583242          1.37987212
     1          0.11729899          1.94945706          4.73863608
     1         -2.74840985          1.97650095          3.70375727
     1          3.77284177         -1.79554131          2.96768836
     1          4.64633062         -1.89861806          0.05008711
     1          1.20129795          4.38386451         -2.37043365
     1          1.05598405          4.86633085          0.63452049

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.333374D-03      0.847352D-03      0.282646D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.333374D-03      0.847352D-03      0.282646D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139419D+03      0.206598D+02      0.229871D+02
   aniso      0.336238D+02      0.498254D+01      0.554382D+01
   xx         0.143180D+03      0.212170D+02      0.236071D+02
   yx         0.135343D+02      0.200558D+01      0.223151D+01
   yy         0.126093D+03      0.186851D+02      0.207900D+02
   zx         0.350097D+01      0.518790D+00      0.577232D+00
   zy        -0.631037D+01     -0.935100D+00     -0.104044D+01
   zz         0.148984D+03      0.220771D+02      0.245641D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143360D+03      0.212438D+02      0.236369D+02
   aniso      0.339313D+02      0.502810D+01      0.559451D+01
   xx         0.147184D+03      0.218103D+02      0.242673D+02
   yx         0.136550D+02      0.202347D+01      0.225141D+01
   yy         0.129913D+03      0.192512D+02      0.214198D+02
   zx         0.353574D+01      0.523942D+00      0.582964D+00
   zy        -0.638672D+01     -0.946415D+00     -0.105303D+01
   zz         0.152984D+03      0.226699D+02      0.252236D+02

 ----------------------------------------------------------------------
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 WE ARE PERHAPS NOT FAR REMOVED FROM THE TIME WHEN WE SHALL BE ABLE TO SUBMIT
 THE BULK OF CHEMICAL PHENOMENA TO CALCULATION.

            -- JOSEPH LOUIS GAY-LUSSAC
               MEMOIRES DE LA SOCIETE D'ARCUEIL, 2, 207 (1808)
 Job cpu time:       2 days 19 hours 28 minutes 14.7 seconds.
 Elapsed time:       0 days  4 hours 13 minutes 17.8 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 01:54:16 2021.
